| 1 | Pressure-induced superconductivity in ternary yttrium borohydride systems | 2.7 | 4 | Citations (PDF) |
| 2 | Ab initio
description of bcc iron with correlation matrix renormalization theory | 3.4 | 3 | Citations (PDF) |
| 3 | Machine learning-accelerated discovery of iron cobalt phosphides as rare-earth-free magnets | 2.7 | 1 | Citations (PDF) |
| 4 | Machine learning assisted search for Fe–Co–C ternary compounds with high magnetic anisotropy 2024, 2, | | 3 | Citations (PDF) |
| 5 | Ground and excited states of even-numbered Hubbard ring at half-filling: comparison of the extended Gutzwiller approach with exact diagonalization | 2.3 | 0 | Citations (PDF) |
| 6 | Magnetic iron-cobalt silicides discovered using machine-learning | 2.7 | 11 | Citations (PDF) |
| 7 | Tailoring Mid‐Gap States of Chalcogenide Glass by Pressure‐Induced Hypervalent Bonding Towards the Design of Electrical Switching Materials | 17.0 | 35 | Citations (PDF) |
| 8 | Topological band gap in intercalated epitaxial graphene | 2.3 | 2 | Citations (PDF) |
| 9 | Benchmarks and results of the two-band Hubbard model from the Gutzwiller conjugate gradient minimization theory | 3.4 | 1 | Citations (PDF) |
| 10 | Accelerating materials discovery using integrated deep machine learning approaches | 9.3 | 25 | Citations (PDF) |
| 11 | Ab-initio simulations of coherent phonon-induced pumping of carriers in zirconium pentatelluride | 5.3 | 4 | Citations (PDF) |
| 12 | Two-step nucleation of the Earth’s inner core | 7.5 | 38 | Citations (PDF) |
| 13 | Predicting magnetic anisotropy energies using site-specific spin-orbit coupling energies and machine learning: Application to iron-cobalt nitrides | 2.7 | 11 | Citations (PDF) |
| 14 | Reversible motions and disordered structure of soft particles in amorphous solids | 3.4 | 1 | Citations (PDF) |
| 15 | The Gutzwiller conjugate gradient minimization method for correlated electron systems | 2.3 | 5 | Citations (PDF) |
| 16 | Deep machine learning potential for atomistic simulation of Fe-Si-O systems under Earth's outer core conditions | 2.7 | 20 | Citations (PDF) |
| 17 | Path Less Traveled: A Contemporary Twist on Synthesis and Traditional Structure Solution of Metastable LiNi12B8 | 6.7 | 7 | Citations (PDF) |
| 18 | Imaging Stacking-Dependent Surface Plasmon Polaritons in Trilayer Graphene | 3.9 | 11 | Citations (PDF) |
| 19 | Structures and localized vibrational states of defects in graphite by tight-binding calculations | 2.7 | 1 | Citations (PDF) |
| 20 | Controlling selective nucleation and growth of dysprosium islands on graphene by metal intercalation | 2.7 | 2 | Citations (PDF) |
| 21 | Machine Learning-Guided Discovery of Ternary Compounds Containing La, P, and Group 14 Elements | 4.6 | 14 | Citations (PDF) |
| 22 | A rotationally invariant approach based on Gutzwiller wave function for correlated electron systems | 2.3 | 1 | Citations (PDF) |
| 23 | Ab initio
study on fcc Pr with correlation matrix renormalization theory | 3.4 | 4 | Citations (PDF) |
| 24 | Ground state wave functions for single-band Hubbard models from the Gutzwiller conjugate gradient minimisation theory | 2.2 | 5 | Citations (PDF) |
| 25 | An efficient random-sampling method for calculating double occupancy of Gutzwiller wave function in single-band 1D and 2D lattices | 2.2 | 3 | Citations (PDF) |
| 26 | Shallow-circuit variational quantum eigensolver based on symmetry-inspired Hilbert space partitioning for quantum chemical calculations | 4.0 | 31 | Citations (PDF) |
| 27 | Localized electronic and vibrational states in amorphous diamond | 2.7 | 3 | Citations (PDF) |
| 28 | Lithium nickel borides: evolution of [NiB] layers driven by Li pressure | 6.3 | 13 | Citations (PDF) |
| 29 | Gutzwiller hybrid quantum-classical computing approach for correlated materials | 4.0 | 41 | Citations (PDF) |
| 30 | Manipulation of electronic property of epitaxial graphene on SiC substrate by Pb intercalation | 3.4 | 19 | Citations (PDF) |
| 31 | Nonequilibrium phonon tuning and mapping in few-layer graphene with infrared nanoscopy | 3.4 | 10 | Citations (PDF) |
| 32 | Ternary Zinc Antimonides Unlocked Using Hydride Synthesis | 4.6 | 12 | Citations (PDF) |
| 33 | Adaptive Variational Quantum Dynamics Simulations | 10.3 | 124 | Citations (PDF) |
| 34 | Role of Coulomb interaction in the phase formation of fcc Ce: Correlation matrix renormalization theory | 3.4 | 8 | Citations (PDF) |
| 35 | How to Look for Compounds: Predictive Screening and in situ Studies in Na−Zn−Bi System | 3.4 | 7 | Citations (PDF) |
| 36 | Construction of
A−B
heterolayer intermetallic crystals: Case studies of the 1144-phase TM-phosphides
AB
(TM)
4P4
(TM=Fe, Ru, Co, Ni) | 2.7 | 4 | Citations (PDF) |
| 37 | Third time's the charm: intricate non-centrosymmetric polymorphism in LnSiP3 (Ln = La and Ce) induced by distortions of phosphorus square layers | 3.0 | 24 | Citations (PDF) |
| 38 | Correlation matrix renormalization theory in multi-band lattice systems | 2.3 | 5 | Citations (PDF) |
| 39 | Adaptive Variational Quantum Imaginary Time Evolution Approach for Ground State Preparation | 4.2 | 78 | Citations (PDF) |
| 40 | Molecular dynamics simulation of metallic Al–Ce liquids using a neural network machine learning interatomic potential | 2.8 | 27 | Citations (PDF) |
| 41 | Pressure-induced superconductivity in the hydrogen-rich pseudobinary
CaB−Hn
compounds | 3.4 | 15 | Citations (PDF) |
| 42 | Lithium Diffusion in Silicon Encapsulated with Graphene | 4.0 | 8 | Citations (PDF) |
| 43 | Defect Interaction and Deformation in Graphene | 3.1 | 9 | Citations (PDF) |
| 44 | Efficient Step-Merged Quantum Imaginary Time Evolution Algorithm for Quantum Chemistry | 5.1 | 67 | Citations (PDF) |
| 45 | Development of interatomic potential for Al–Tb alloys using a deep neural network learning method | 2.7 | 49 | Citations (PDF) |
| 46 | An ultra-incompressible Mn3N compound predicted by first-principles genetic algorithm | 2.0 | 4 | Citations (PDF) |
| 47 | A benchmark of Gutzwiller conjugate gradient minimization method in ground state energy calculations of dimers | 2.5 | 5 | Citations (PDF) |
| 48 | Spatial decomposition of magnetic anisotropy in magnets: Application to doped
Fe16N2 | 3.4 | 12 | Citations (PDF) |
| 49 | Phase Diagram and Structure Map of Binary Nanoparticle Superlattices from a Lennard-Jones Model | 15.3 | 13 | Citations (PDF) |
| 50 | Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory | 3.4 | 8 | Citations (PDF) |
| 51 | Synergistic computational and experimental discovery of novel magnetic materials | 3.1 | 22 | Citations (PDF) |
| 52 | Unveiling the medium-range order in glass models and its role in glass formation | 3.4 | 10 | Citations (PDF) |
| 53 | Characterization of three phases of liquid carbon by tight-binding molecular dynamics simulations | 2.7 | 7 | Citations (PDF) |
| 54 | First-principles calculation of excited states of diatomic molecules: a benchmark for the Gutzwiller conjugate gradient minimisation method | 2.2 | 6 | Citations (PDF) |
| 55 | Electronic Structure of Double-Layer Epitaxial Graphene on SiC(0001) Modified by Gd Intercalation | 3.1 | 12 | Citations (PDF) |
| 56 | Cryogenic spatial–temporal imaging of surface photocarrier dynamics in MAPbI3 films at the single grain level | 1.2 | 3 | Citations (PDF) |
| 57 | HOT Graphene and HOT Graphene Nanotubes: New Low Dimensional Semimetals and Semiconductors | 3.9 | 7 | Citations (PDF) |
| 58 | Tailored Plasmons in Pentacene/Graphene Heterostructures with Interlayer Electron Transfer | 8.7 | 29 | Citations (PDF) |
| 59 | First-principles calculation of correlated electron materials based on Gutzwiller wave function beyond Gutzwiller approximation | 2.3 | 8 | Citations (PDF) |
| 60 | Strong optical absorption of a metallic film to induce a lensing effect in the visible region | 3.4 | 1 | Citations (PDF) |
| 61 | From NaZn4Sb3 to HT-Na1–xZn4–ySb3: Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties | 6.7 | 26 | Citations (PDF) |
| 62 | Concentration-tuned tetragonal strain in alloys: Application to magnetic anisotropy of
FeNi1−xCox | 3.4 | 14 | Citations (PDF) |
| 63 | Observation of η-Al41Sm5 reveals motif-aware structural evolution in Al-Sm alloys | 3.4 | 4 | Citations (PDF) |
| 64 | Quantum phase transition and ferromagnetism inCo1+xSn | 3.4 | 6 | Citations (PDF) |
| 65 | Topological states in A15 superconductors | 3.4 | 30 | Citations (PDF) |
| 66 | Benchmark of correlation matrix renormalization method in molecule calculations | 2.3 | 2 | Citations (PDF) |
| 67 | Competitive B2 and B33 Nucleation during Solidification of Ni50Zr50 Alloy: Molecular Dynamics Simulation and Classical Nucleation Theory | 3.1 | 6 | Citations (PDF) |
| 68 | Ultrafast nonlinear transparency driven at a telecom wavelength in an organic semiconductor system | 1.2 | 8 | Citations (PDF) |
| 69 | Structural and electronic properties of T graphene nanotubes: a first-principles study | 2.9 | 19 | Citations (PDF) |
| 70 | Novel superconducting structures of BH2 under high pressure | 2.7 | 28 | Citations (PDF) |
| 71 | Local structure origin of ultrafast crystallization driven by high-fidelity octahedral clusters in amorphous Sc0.2Sb2Te3 | 3.0 | 26 | Citations (PDF) |
| 72 | Development of a semi-empirical potential suitable for molecular dynamics simulation of vitrification in Cu-Zr alloys | 2.8 | 120 | Citations (PDF) |
| 73 | Effects of Si solute on the glass formation and atomic structure of Pd liquid | 2.3 | 13 | Citations (PDF) |
| 74 | Effects of dopants on the glass forming ability in Al-based metallic alloy | 2.7 | 13 | Citations (PDF) |
| 75 | Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen | 3.4 | 8 | Citations (PDF) |
| 76 | Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach | 8.2 | 62 | Citations (PDF) |
| 77 | Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials | 3.1 | 4 | Citations (PDF) |
| 78 | Multimode Jahn-Teller effect in bulk systems: A case of the
NV0
center in diamond | 3.4 | 12 | Citations (PDF) |
| 79 | Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects | 2.3 | 31 | Citations (PDF) |
| 80 | A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases | 1.1 | 2 | Citations (PDF) |
| 81 | Evolution of short- and medium-range order in the melt-quenching amorphization of Ge2Sb2Te5 | 5.1 | 47 | Citations (PDF) |
| 82 | New structures of Fe
3
S for rare-earth-free permanent magnets | 2.9 | 5 | Citations (PDF) |
| 83 | Using first-principles calculations to screen for fragile magnetism: Case study of
LaCrGe3
and
LaCrSb3 | 3.4 | 12 | Citations (PDF) |
| 84 | Stability of the 1144 phase in iron pnictides | 3.4 | 24 | Citations (PDF) |
| 85 | Prediction of novel stable Fe-V-Si ternary phase | 6.0 | 6 | Citations (PDF) |
| 86 | Temperature dependence of the solid-liquid interface free energy of Ni and Al from molecular dynamics simulation of nucleation | 2.8 | 25 | Citations (PDF) |
| 87 | Pressure-induced multiple phase transformations of the
BaBi3
superconductor | 3.4 | 10 | Citations (PDF) |
| 88 | Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses | 4.2 | 59 | Citations (PDF) |
| 89 | Structures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations | 2.0 | 14 | Citations (PDF) |
| 90 | Molecular dynamics simulation of the solid-liquid interface migration in terbium | 2.8 | 21 | Citations (PDF) |
| 91 | Nucleation of stoichiometric compounds from liquid: Role of the kinetic factor | 2.7 | 23 | Citations (PDF) |
| 92 | Influence of nitrogen dopants on the magnetization of
Co3N
clusters | 2.7 | 9 | Citations (PDF) |
| 93 | Structural and chemical orders in
Ni64.5Zr35.5
metallic glass by molecular dynamics simulation | 2.7 | 9 | Citations (PDF) |
| 94 | Magnetocrystalline anisotropy in
YCo5
and
ZrCo5
compounds from first-principles real-space pseudopotentials calculations | 2.7 | 5 | Citations (PDF) |
| 95 | Is it possible to stabilize the 1144-phase pnictides with tri-valence cations? | 2.7 | 12 | Citations (PDF) |
| 96 | Hybrid silicon–carbon nanostructures for broadband optical absorption | 4.4 | 5 | Citations (PDF) |
| 97 | An Efficient Scheme for Crystal Structure Prediction Based on Structural Motifs | 3.1 | 11 | Citations (PDF) |
| 98 | Exploring new phases of Fe3−xCoxC for rare-earth-free magnets | 2.9 | 16 | Citations (PDF) |
| 99 | Crystal genes in a marginal glass-forming system of Ni50Zr50 | 2.7 | 12 | Citations (PDF) |
| 100 | Growth and characterization of BaZnGa | 1.6 | 0 | Citations (PDF) |
| 101 | Phase transitions in MgSiO3 post-perovskite in super-Earth mantles | 4.8 | 74 | Citations (PDF) |
| 102 | Structures, phase transitions, and magnetic properties of
Co3Si
from first-principles calculations | 3.4 | 12 | Citations (PDF) |
| 103 | Coexistence of type-II Dirac point and weak topological phase in
Pt3Sn | 3.4 | 13 | Citations (PDF) |
| 104 | Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material | 4.6 | 4 | Citations (PDF) |
| 105 | Cluster-Expansion Model for Complex Quinary Alloys: Application to Alnico Permanent Magnets | 3.9 | 11 | Citations (PDF) |
| 106 | Theoretical Prediction of Si2–Si33 Absorption Spectra | 2.5 | 11 | Citations (PDF) |
| 107 | Manipulation of Dirac cones in intercalated epitaxial graphene | 10.7 | 26 | Citations (PDF) |
| 108 | Theoretical search for possible Au-Si crystal structures using a genetic algorithm | 3.4 | 11 | Citations (PDF) |
| 109 | Structural hierarchy as a key to complex phase selection in Al-Sm | 2.7 | 14 | Citations (PDF) |
| 110 | Large magnetic anisotropy predicted for rare-earth-free
Fe16−xCoxN2
alloys | 3.4 | 56 | Citations (PDF) |
| 111 | Metal intercalation-induced selective adatom mass transport on graphene | 8.6 | 7 | Citations (PDF) |
| 112 | Fe–Si networks in Na2FeSiO4 cathode materials | 2.7 | 31 | Citations (PDF) |
| 113 | Effects of Oxygen Impurities on Glass-Formation Ability in Zr2Cu Alloy | 2.7 | 24 | Citations (PDF) |
| 114 | Correlation Matrix Renormalization Theory: Improving Accuracy with Two-Electron Density-Matrix Sum Rules | 5.1 | 14 | Citations (PDF) |
| 115 | Crystal structure and magnetic properties of new Fe3Co3X2(X = Ti, Nb) intermetallic compounds | 2.9 | 11 | Citations (PDF) |
| 116 | Gutzwiller renormalization group | 3.4 | 4 | Citations (PDF) |
| 117 | Interplay between surface and surface resonance states on height selective stability of fcc Dy(111) film at nanoscale | 2.7 | 2 | Citations (PDF) |
| 118 | Metastable cobalt nitride structures with high magnetic anisotropy for rare-earth free magnets | 2.7 | 32 | Citations (PDF) |
| 119 | ‘Crystal Genes’ in Metallic Liquids and Glasses | 3.4 | 56 | Citations (PDF) |
| 120 | Zero-Strain Na2FeSiO4 as Novel Cathode Material for Sodium-Ion Batteries | 8.0 | 120 | Citations (PDF) |
| 121 | Stabilities and defect-mediated lithium-ion conduction in a ground state cubic Li3N structure | 2.7 | 7 | Citations (PDF) |
| 122 | Tight-binding calculation studies of vacancy and adatom defects in graphene | 2.3 | 25 | Citations (PDF) |
| 123 | Ab initiomolecular dynamics simulations of short-range order in Zr50Cu45Al5and Cu50Zr45Al5metallic glasses | 2.3 | 16 | Citations (PDF) |
| 124 | How Big Does a Si Nanocluster Favor Bulk Bonding Geometry? | 3.1 | 7 | Citations (PDF) |
| 125 | Charge oscillations and interaction between potassium adatoms on graphene studied by first-principles calculations | 3.4 | 9 | Citations (PDF) |
| 126 | Electronic structure ofCe2RhIn8: A two-dimensional heavy-fermion system studied by angle-resolved photoemission spectroscopy | 3.4 | 11 | Citations (PDF) |
| 127 | Three-center tight-binding potential model for C and Si | 3.4 | 18 | Citations (PDF) |
| 128 | Nature of the Insulating Ground State of the5dPostperovskiteCaIrO3 | 8.2 | 24 | Citations (PDF) |
| 129 | Structural evolution of the Pb/Si(111) interface with metal overlayer thickness | 3.4 | 5 | Citations (PDF) |
| 130 | Efficient and accurate treatment of electron correlations with Correlation Matrix Renormalization theory | 3.4 | 14 | Citations (PDF) |
| 131 | Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme | 3.4 | 29 | Citations (PDF) |
| 132 | Comparative study of local atomic structures in Zr2CuxNi1−x (x = 0, 0.5, 1) metallic glasses | 2.0 | 11 | Citations (PDF) |
| 133 | Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations | 2.0 | 16 | Citations (PDF) |
| 134 | A computational study of diffusion in a glass-forming metallic liquid | 3.4 | 13 | Citations (PDF) |
| 135 | Local structure order in Pd78Cu6Si16 liquid | 3.4 | 33 | Citations (PDF) |
| 136 | A coefficient average approximation towards Gutzwiller wavefunction formalism | 2.3 | 0 | Citations (PDF) |
| 137 | Diffusion in a Cu-Zr metallic glass studied by microsecond-scale molecular dynamics simulations | 3.4 | 31 | Citations (PDF) |
| 138 | Reducing optical losses in organic solar cells using microlens arrays: theoretical and experimental investigation of microlens dimensions | 2.7 | 29 | Citations (PDF) |
| 139 | Dynamics and Diffusion Mechanism of Low-Density Liquid Silicon | 2.7 | 2 | Citations (PDF) |
| 140 | First-principles study of direct and narrow band gap semiconducting<i>β</i>-CuGaO<sub>2</sub> | 2.0 | 9 | Citations (PDF) |
| 141 | Energetics and Atomic Structures of Cu2Te Overlayers on CdTe(111) | 3.1 | 1 | Citations (PDF) |
| 142 | Broadband optical absorption by tunable Mie resonances in silicon nanocone arrays | 3.4 | 140 | Citations (PDF) |
| 143 | Cooling rates dependence of medium-range order development inCu64.5Zr35.5metallic glass | 3.4 | 54 | Citations (PDF) |
| 144 | The role of quantum confinement in the formation of Schottky barriers in Pb–Si interfaces | 2.3 | 2 | Citations (PDF) |
| 145 | Growth morphology and properties of metals on graphene | 5.3 | 146 | Citations (PDF) |
| 146 | Theoretical study on the structures and optical absorption of Si172nanoclusters | 5.0 | 15 | Citations (PDF) |
| 147 | Development of interatomic potentials appropriate for simulation of devitrification of Al90Sm10alloy | 2.3 | 71 | Citations (PDF) |
| 148 | Phase Diagram and Electronic Structure of Praseodymium and Plutonium | 11.8 | 86 | Citations (PDF) |
| 149 | Cluster expansion modeling and Monte Carlo simulation of alnico 5–7 permanent magnets | 2.0 | 10 | Citations (PDF) |
| 150 | Si78double cage structure and special optical properties | 2.7 | 10 | Citations (PDF) |
| 151 | Structures and stability of metal-doped GenM (n = 9, 10) clusters | 1.2 | 18 | Citations (PDF) |
| 152 | Nonclassical “Explosive” Nucleation in Pb/Si(111) at Low Temperatures | 8.2 | 19 | Citations (PDF) |
| 153 | Quantum confinement induced oscillatory electric field on a stepped Pb(111) film and its influence on surface reactivity | 3.4 | 8 | Citations (PDF) |
| 154 | Strong correlations of dynamical and structural heterogeneities with localized soft modes in a Cu-Zr metallic glass | 3.0 | 23 | Citations (PDF) |
| 155 | Evolution of optical properties of tin film from solid to liquid studied by spectroscopic ellipsometry and ab initio calculation | 3.0 | 17 | Citations (PDF) |
| 156 | New stable Re–B phases for ultra-hard materials | 2.3 | 9 | Citations (PDF) |
| 157 | Structure of Cu64.5Zr35.5 metallic glass by reverse Monte Carlo simulations | 2.0 | 7 | Citations (PDF) |
| 158 | Structures and magnetic properties of Fe clusters on graphene | 3.4 | 36 | Citations (PDF) |
| 159 | Interplay of spin-orbit and entropic effects in cerium | 3.4 | 21 | Citations (PDF) |
| 160 | Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study | 3.4 | 14 | Citations (PDF) |
| 161 | Genetic algorithm prediction of crystal structure of metastable Si-IX phase | 2.3 | 10 | Citations (PDF) |
| 162 | sp3
-hybridized framework structure of group-14 elements discovered by genetic algorithm | 3.4 | 24 | Citations (PDF) |
| 163 | An adaptive genetic algorithm for crystal structure prediction | 2.3 | 147 | Citations (PDF) |
| 164 | Correlation matrix renormalization approximation for total-energy calculations of correlated electron systems | 3.4 | 20 | Citations (PDF) |
| 165 | New Be-intercalated hexagonal boron layer structure of BeB2 | 4.4 | 8 | Citations (PDF) |
| 166 | Magnetic Moment Enhancement for Mn7 Cluster on Graphene | 3.1 | 16 | Citations (PDF) |
| 167 | Ultrafast Bulk Diffusion of AlHx in High-Entropy Dehydrogenation Intermediates of NaAlH4 | 3.1 | 4 | Citations (PDF) |
| 168 | Interface Structure Prediction from First-Principles | 3.1 | 50 | Citations (PDF) |
| 169 | Exploring the Structural Complexity of Intermetallic Compounds by an Adaptive Genetic Algorithm | 8.2 | 120 | Citations (PDF) |
| 170 | On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets | 3.4 | 258 | Citations (PDF) |
| 171 | Electronic and spin transport properties of graphene nanoribbon mediated by metal adatoms: a study by the QUAMBO–NEGF approach | 2.3 | 7 | Citations (PDF) |
| 172 | Atomistic processes of grain boundary motion and annihilation in graphene | 2.3 | 6 | Citations (PDF) |
| 173 | New Layered Structures of Cuprous Chalcogenides as Thin Film Solar Cell Materials:Cu2TeandCu2Se | 8.2 | 121 | Citations (PDF) |
| 174 | Atomic Structure and Magnetic Properties of HfCo$_{7}$ Alloy | 1.4 | 6 | Citations (PDF) |
| 175 | γ−αIsostructural Transition in Cerium | 8.2 | 82 | Citations (PDF) |
| 176 | Structures and stabilities of alkaline earth metal peroxides XO2 (X = Ca, Be, Mg) studied by a genetic algorithm | 4.4 | 24 | Citations (PDF) |
| 177 | Formation and development of dislocation in graphene | 3.0 | 33 | Citations (PDF) |
| 178 | Influence of oriented topological defects on the mechanical properties of carbon nanotube heterojunctions | 2.0 | 2 | Citations (PDF) |
| 179 | Microlens array induced light absorption enhancement in polymer solar cells | 2.7 | 54 | Citations (PDF) |
| 180 | Cross-sectional aspect ratio modulated electronic properties in Si/Ge core/shell nanowires | 2.9 | 5 | Citations (PDF) |
| 181 | Enhanced light emission in semiconductor nanowire arrays | 2.3 | 6 | Citations (PDF) |
| 182 | Effects of strontium impurity on the structure and dynamics of Al88Si12liquid | 2.3 | 6 | Citations (PDF) |
| 183 | Metal-nanowall grating transparent electrodes: Achieving high optical transmittance at high incident angles with minimal diffraction | 3.0 | 10 | Citations (PDF) |
| 184 | Metals on Graphene: Interactions, Growth Morphology, and Thermal Stability | 2.1 | 150 | Citations (PDF) |
| 185 | Experimental Observation of Negative Effective Gravity in Water Waves | 3.4 | 31 | Citations (PDF) |
| 186 | A theoretical study of a nano-opto-mechanical sensor using a photonic crystal-cantilever cavity | 2.6 | 8 | Citations (PDF) |
| 187 | Broadband light absorption enhancement in polymer photovoltaics using metal nanowall gratings as transparent electrodes | 3.0 | 23 | Citations (PDF) |
| 188 | Coverage-Dependent Collective Diffusion of a Dense Pb Wetting Layer on Si(111) | 8.2 | 17 | Citations (PDF) |
| 189 | Growth morphology and thermal stability of metal islands on graphene | 3.4 | 45 | Citations (PDF) |
| 190 | High Island Densities and Long Range Repulsive Interactions: Fe on Epitaxial Graphene | 8.2 | 45 | Citations (PDF) |
| 191 | Atomic structure and magnetic properties of Fe1–xCox alloys | 2.0 | 22 | Citations (PDF) |
| 192 | Photonic crystal: energy-related applications | 1.7 | 7 | Citations (PDF) |
| 193 | Metals on graphene: correlation between adatom adsorption behavior and growth morphology | 2.7 | 158 | Citations (PDF) |
| 194 | Extremely Efficient Indium–Tin‐Oxide‐Free Green Phosphorescent Organic Light‐Emitting Diodes | 24.5 | 108 | Citations (PDF) |
| 195 | A Tight-Binding Model for Molecular Dynamics of Carbon-Hydrogen Systems | 0.1 | 0 | Citations (PDF) |
| 196 | Including many-body screening into self-consistent calculations: Tight-binding model studies with the Gutzwiller approximation | 3.4 | 23 | Citations (PDF) |
| 197 | Dynamic arrest and glass formation induced by self-aggregation of icosahedral clusters in Zr1−xCuxalloys | 3.4 | 73 | Citations (PDF) |
| 198 | Signature of Al 11 Sm 3 fragments in undercooled Al 90 Sm 10 liquid from ab initio molecular dynamics simulations | 2.3 | 6 | Citations (PDF) |
| 199 | Negative Effective Gravity in Water Waves by Periodic Resonator Arrays | 8.2 | 57 | Citations (PDF) |
| 200 | Fluctuation between icosahedral and body-centered-cube short-range orders in undercooled Zr liquid | 2.0 | 16 | Citations (PDF) |
| 201 | Structure and dynamics of liquid Ni36Zr64byab initiomolecular dynamics | 3.4 | 51 | Citations (PDF) |
| 202 | Strain Effects in Ge/Si and Si/Ge Core/Shell Nanowires | 3.1 | 17 | Citations (PDF) |
| 203 | Fe-Fe adatom interaction and growth morphology on graphene | 3.4 | 24 | Citations (PDF) |
| 204 | Bonding and charge transfer by metal adatom adsorption on graphene | 3.4 | 190 | Citations (PDF) |
| 205 | Fabrication of submicron metallic grids with interference and phase-mask holography | 1.2 | 7 | Citations (PDF) |
| 206 | Electronic structure and transport of a carbon chain between graphene nanoribbon leads | 2.3 | 31 | Citations (PDF) |
| 207 | Two-dimensional optofluidic liquid-core waveguiding based on optimized integration of single- and multiple-layer antiresonance reflection optical waveguides | 1.8 | 1 | Citations (PDF) |
| 208 | Soft holographic interference lithography microlens for enhanced organic light emitting diode light extraction | 3.0 | 41 | Citations (PDF) |
| 209 | Microporous phase-separated films of polymer blends for enhanced outcoupling of light from OLEDs | 3.0 | 29 | Citations (PDF) |
| 210 | Competition between fcc and icosahedral short-range orders in pure and samarium-doped liquid aluminum from first principles | 3.4 | 24 | Citations (PDF) |
| 211 | Spatially Resolved Distribution Function and the Medium-Range Order in Metallic Liquid and Glass | 3.4 | 78 | Citations (PDF) |
| 212 | Modeling electrochemical and metal-phase processes during alkaline aluminum corrosion | 5.3 | 9 | Citations (PDF) |
| 213 | Organic Light‐Emitting Diode Sensing Platform: Challenges and Solutions | 17.0 | 46 | Citations (PDF) |
| 214 | On Realizing Higher Efficiency Polymer Solar Cells Using a Textured Substrate Platform | 24.5 | 109 | Citations (PDF) |
| 215 | Metal Nanostructure Formation on Graphene: Weak versus Strong Bonding | 24.5 | 80 | Citations (PDF) |
| 216 | A New Architecture for Transparent Electrodes: Relieving the Trade‐Off Between Electrical Conductivity and Optical Transmittance | 24.5 | 132 | Citations (PDF) |
| 217 | Competitive diamond‐like and endohedral fullerene structures of Si 70 | 4.8 | 9 | Citations (PDF) |
| 218 | An ab initio calculation study of silicon and carbon binary clusters C 7 Si n(n= 1–7) | 2.3 | 2 | Citations (PDF) |
| 219 | Identification of post-pyrite phase transitions in SiO2by a genetic algorithm | 3.4 | 59 | Citations (PDF) |
| 220 | Comparative study of the electronic and magnetic properties of BaFe2As2and BaMn2As2using the Gutzwiller approximation | 3.4 | 29 | Citations (PDF) |
| 221 | Ultrahigh-pressure phases of H2O ice predicted using an adaptive genetic algorithm | 3.4 | 76 | Citations (PDF) |
| 222 | Structural and dynamical properties of liquidCu80Si20alloy studied experimentally and byab initiomolecular dynamics simulations | 3.4 | 31 | Citations (PDF) |
| 223 | Medium-range icosahedral order in quasicrystal-forming Zr2Pd binary metallic glass | 3.0 | 17 | Citations (PDF) |
| 224 | Photonic-plasmonic integration through the fusion of photonic crystal cavity and metallic structure | 0.9 | 4 | Citations (PDF) |
| 225 | Textured substrate based organic solar cell for higher absorption and improved performance | 0.1 | 0 | Citations (PDF) |
| 226 | Statistical model of defects in Al-H system | 3.4 | 36 | Citations (PDF) |
| 227 | Atomistic cluster alignment method for local order mining in liquids and glasses | 3.4 | 128 | Citations (PDF) |
| 228 | Effects of Nanometer-Scale Photonic Crystal Structures on the Light Extraction From GaN Light-Emitting Diodes | 1.3 | 33 | Citations (PDF) |
| 229 | Improved surface wettability of polyurethane films by ultraviolet ozone treatment | 2.7 | 30 | Citations (PDF) |
| 230 | Microscopic origin of slow dynamics at the good glass forming composition range in Zr1−xCux metallic liquids | 2.0 | 94 | Citations (PDF) |
| 231 | Structural and dynamical heterogeneity in molten Si-rich oxides | 3.0 | 6 | Citations (PDF) |
| 232 | Geometric structures of Gen (n=34–39) clusters | 2.8 | 22 | Citations (PDF) |
| 233 | The role of pentagon–heptagon pair defect in carbon nanotube: The center of vacancy reconstruction | 3.0 | 15 | Citations (PDF) |
| 234 | Atomic size and chemical effects on the local order ofZr2M(M=Co, Ni, Cu, and Ag) binary liquids | 3.4 | 60 | Citations (PDF) |
| 235 | Chemical bonding analysis for solid-state systems using intrinsic oriented quasiatomic minimal-basis-set orbitals | 3.4 | 13 | Citations (PDF) |
| 236 | Semicrystalline woodpile photonic crystals without complicated alignment via soft lithography | 3.0 | 5 | Citations (PDF) |
| 237 | Fabrication of metallic nanowires and nanoribbons using laser interference lithography and shadow lithography | 2.6 | 27 | Citations (PDF) |
| 238 | Energetics of local clusters in Cu64.5Zr35.5 metallic liquid and glass | 3.0 | 51 | Citations (PDF) |
| 239 | Charge localization in [1 1 2] Si/Ge and Ge/Si core–shell nanowires | 2.9 | 5 | Citations (PDF) |
| 240 | Reconstruction and evaporation at graphene nanoribbon edges | 3.4 | 56 | Citations (PDF) |
| 241 | Short- and medium-range order in amorphousZr2Nimetallic alloy | 3.4 | 39 | Citations (PDF) |
| 242 | Adsorption and growth morphology of rare-earth metals on graphene studied byab initiocalculations and scanning tunneling microscopy | 3.4 | 74 | Citations (PDF) |
| 243 | Effect of local structures and atomic packing on glass forming ability in CuxZr100−x metallic glasses | 3.0 | 205 | Citations (PDF) |
| 244 | Thermodynamic limits of crystallization and the prediction of glass formation tendency | 3.4 | 10 | Citations (PDF) |
| 245 | Comparing efficiencies of genetic and minima hopping algorithms for crystal structure prediction | 2.7 | 31 | Citations (PDF) |
| 246 | Appearance of bulk-like motifs in Si, Ge, and Al clusters | 2.7 | 25 | Citations (PDF) |
| 247 | Stochastic coarsening model for Pb islands on a Si(111) surface | 3.4 | 6 | Citations (PDF) |
| 248 | Structures of Pbn(n= 21–30) clusters from first-principles calculations | 2.3 | 5 | Citations (PDF) |
| 249 | Continuum and Kinetic Monte Carlo Modeling Hydrogen Absorption in Aluminum during Alkaline Corrosion | 0.0 | 0 | Citations (PDF) |
| 250 | Competition between area and height evolution of Pb islands on a Si(111) surface | 3.4 | 13 | Citations (PDF) |
| 251 | Efficient First-Principles Simulation of Noncontact Atomic Force Microscopy for Structural Analysis | 8.2 | 20 | Citations (PDF) |
| 252 | Experimental andab initiomolecular dynamics simulation studies of liquidAl60Cu40alloy | 3.4 | 113 | Citations (PDF) |
| 253 | Interfacial disorder and optoelectronic properties of diamond nanocrystals | 3.4 | 4 | Citations (PDF) |
| 254 | Finding the low-energy structures of Si[001] symmetric tilted grain boundaries with a genetic algorithm | 3.4 | 56 | Citations (PDF) |
| 255 | Localized optical orbital approach to study localized states of light in photonic crystals | 3.4 | 2 | Citations (PDF) |
| 256 | Effects of defect permittivity on resonant frequency and mode shape in the three-dimensional woodpile photonic crystal | 2.0 | 5 | Citations (PDF) |
| 257 | Stabilities and fragmentation energies of Sinclusters (n= 2–33) | 2.3 | 42 | Citations (PDF) |
| 258 | Global Optimization of 2-Dimensional Nanoscale Structures: A Brief Review | 4.6 | 9 | Citations (PDF) |
| 259 | Platelike structures of semiconductor clusters Gen (n=40–44) | 2.8 | 27 | Citations (PDF) |
| 260 | Bulklike structures for medium-sized Aln (n=31–40) clusters | 2.8 | 17 | Citations (PDF) |
| 261 | A first-principles divide-and-conquer approach for electronic structure of large systems and its application to graphene nanoribbons | 2.3 | 26 | Citations (PDF) |
| 262 | A planar four-port channel drop filter in the three-dimensional woodpile photonic crystal | 3.0 | 17 | Citations (PDF) |
| 263 | High-Quality ZnO Nanowire Arrays Directly Fabricated from Photoresists | 15.3 | 74 | Citations (PDF) |
| 264 | Diffracted magneto-optical Kerr effect of a Ni magnetic grating | 2.0 | 5 | Citations (PDF) |
| 265 | Structures and Stabilities of Pbn (n ≤ 20) Clusters | 2.5 | 41 | Citations (PDF) |
| 266 | Structural heterogeneity and medium-range order inZrxCu100−xmetallic glasses | 3.4 | 263 | Citations (PDF) |
| 267 | Polarization Engineering of Thermal Radiation Using Metallic Photonic Crystals | 24.5 | 29 | Citations (PDF) |
| 268 | Tight-binding Hamiltonian from first-principles calculations | 0.6 | 11 | Citations (PDF) |
| 269 | Atomistic simulation studies of complex carbon and silicon systems using environment-dependent tight-binding potentials | 0.6 | 4 | Citations (PDF) |
| 270 | Honeycomb chain structure of theAu∕Si(111)−(5×2)surface reconstruction: A first-principles study | 3.4 | 20 | Citations (PDF) |
| 271 | Polarized thermal radiation by layer-by-layer metallic emitters with sub-wavelength grating | 3.0 | 18 | Citations (PDF) |
| 272 | Perfectly matched layer absorption boundary condition in planewave based transfer-scattering matrix method for photonic crystal device simulation | 3.0 | 8 | Citations (PDF) |
| 273 | Fine tuning resonant frequencies for a single cavity defect in three-dimensional layer-by-layer photonic crystal | 3.0 | 6 | Citations (PDF) |
| 274 | Size- and Strain-Dependent Electronic Structures in H-Passivated Si [112] Nanowires | 3.1 | 25 | Citations (PDF) |
| 275 | Comparison of the Growth Patterns of Sin and Gen Clusters (n = 25−33) | 2.5 | 29 | Citations (PDF) |
| 276 | New Motif of Silicon Segregation in Silicon Monoxide Clusters | 3.1 | 19 | Citations (PDF) |
| 277 | Modeling of three-dimensional photonic crystal lasers in a frequency domain: A scattering matrix solution | 3.4 | 5 | Citations (PDF) |
| 278 | Atomic and electronic structures ofAg/Si(111)-c(12×2)surface: A first-principles study | 3.4 | 8 | Citations (PDF) |
| 279 | Homogenization of acoustic metamaterials of Helmholtz resonators in fluid | 3.4 | 87 | Citations (PDF) |
| 280 | Crystallographic phase transition and island height selection in In/Si(111) growth | 3.4 | 32 | Citations (PDF) |
| 281 | The formation of pentagon-heptagon pair defect by the reconstruction of vacancy defects in carbon nanotube | 3.0 | 35 | Citations (PDF) |
| 282 | Design of midinfrared photodetectors enhanced by resonant cavities with subwavelength metallic gratings | 3.0 | 32 | Citations (PDF) |
| 283 | Short- and medium-range order in aZr73Pt27glass: Experimental and simulation studies | 3.4 | 49 | Citations (PDF) |
| 284 | Quasiatomic orbitals forab initiotight-binding analysis | 3.4 | 103 | Citations (PDF) |
| 285 | Gutzwiller density functional theory for correlated electron systems | 3.4 | 72 | Citations (PDF) |
| 286 | Appearance of the bulk motif in Al clusters | 2.8 | 22 | Citations (PDF) |
| 287 | Measurement of the Hydrogen Chemical Potential in Aluminum during Alkaline Corrosion | 0.0 | 0 | Citations (PDF) |
| 288 | Layer-by-layer photonic crystal fabricated by low-temperature atomic layer deposition | 3.0 | 20 | Citations (PDF) |
| 289 | Formation of carbon nanotube semiconductor-metal intramolecular junctions by self-assembly of vacancy defects | 3.4 | 32 | Citations (PDF) |
| 290 | Visible three-dimensional metallic photonic crystal with non-localized propagating modes beyond waveguide cutoff | 3.0 | 19 | Citations (PDF) |
| 291 | Cluster-in-jellium model and icosahedral ordering tendencies in liquid Al alloys | 3.4 | 8 | Citations (PDF) |
| 292 | Highly localized quasiatomic minimal basis orbitals for Mo fromab initiocalculations | 3.4 | 41 | Citations (PDF) |
| 293 | The Structure of Ultrathin H-Passivated [112] Silicon Nanowires | 3.1 | 28 | Citations (PDF) |
| 294 | Analysis of photon recycling using metallic photonic crystal | 2.0 | 11 | Citations (PDF) |
| 295 | Dynamics of the trimeric AcrB transporter protein inferred from a B-factor analysis of the crystal structure | 2.6 | 22 | Citations (PDF) |
| 296 | Diamagnetic Response of Metallic Photonic Crystals at Infrared and Visible Frequencies | 8.2 | 65 | Citations (PDF) |
| 297 | Vacancy defects and the formation of local haeckelite structures in graphene from tight-binding molecular dynamics | 3.4 | 81 | Citations (PDF) |
| 298 | Propagation of guided modes in curved nanoribbon waveguides | 3.0 | 14 | Citations (PDF) |
| 299 | Oxidation Pattern of Small Silicon Oxide Clusters: Structures and Stability of Si6On (n = 1−12) | 2.5 | 24 | Citations (PDF) |
| 300 | Interface mobility and the liquid-glass transition in a one-component system described by an embedded atom method potential | 3.4 | 34 | Citations (PDF) |
| 301 | Magic Structures of H-Passivated 〈110〉 Silicon Nanowires | 8.7 | 65 | Citations (PDF) |
| 302 | High-efficiency calculations for three-dimensional photonic crystal cavities | 3.0 | 20 | Citations (PDF) |
| 303 | Higher-order incidence transfer matrix method used in three-dimensional photonic crystal coupled-resonator array simulation | 3.0 | 30 | Citations (PDF) |
| 304 | Quantum Size Effect on the Diffusion Barriers and Growth Morphology ofPb/Si(111) | 8.2 | 71 | Citations (PDF) |
| 305 | Structures ofSi7H2m(m=1–7)clusters by global optimization | 3.4 | 10 | Citations (PDF) |
| 306 | Achieving a photonic band edge near visible wavelengths by metallic coatings | 2.0 | 11 | Citations (PDF) |
| 307 | Add-drop filters in three-dimensional layer-by-layer photonic crystals using waveguides and resonant cavities | 3.0 | 22 | Citations (PDF) |
| 308 | Brewster angle phenomenon in two-dimensional metallic photonic crystals and its application to polarization beam splitting | 3.0 | 3 | Citations (PDF) |
| 309 | Three-dimensional metallic photonic crystals fabricated by soft lithography for midinfrared applications | 3.0 | 23 | Citations (PDF) |
| 310 | Undissociated screw dislocation in Si: Glide or shuffle set? | 3.0 | 37 | Citations (PDF) |
| 311 | Global structural optimization of Si magic clusters on the Si(111) 7×7 surface | 1.7 | 19 | Citations (PDF) |
| 312 | Diffracted moiré fringes as analysis and alignment tools for multilayer fabrication in soft lithography | 3.0 | 22 | Citations (PDF) |
| 313 | A first-principles study of Group IV dimer chains on Si(100) | 3.4 | 21 | Citations (PDF) |
| 314 | Li and Ho Reply: | 8.2 | 0 | Citations (PDF) |
| 315 | Model reconstructions for the Si(337) orientation | 2.0 | 19 | Citations (PDF) |
| 316 | Interface relaxation and electronic corrugation in thePb∕Si(111)−Pb−α−√3×√3 | 3.4 | 32 | Citations (PDF) |
| 317 | Bloch mode reflection and lasing threshold in semiconductor nanowire laser arrays | 3.4 | 15 | Citations (PDF) |
| 318 | Structure and stability of oxygen adsorption on Sin(n= 5–10) clusters | 2.7 | 8 | Citations (PDF) |
| 319 | Potential Energy Surfaces of SimOnCluster Formation and Isomerization | 2.5 | 39 | Citations (PDF) |
| 320 | Evanescent-wave-assisted wideband continuous tunability in photonic crystal channel-drop filters | 3.4 | 6 | Citations (PDF) |
| 321 | Transferability of the Slater-Koster tight-binding scheme from an environment-dependent minimal-basis perspective | 3.4 | 27 | Citations (PDF) |
| 322 | Ab initio molecular dynamics simulation of liquid Al88Si12 alloys | 2.8 | 27 | Citations (PDF) |
| 323 | Photonic bandgaps of conformally coated structures | 1.8 | 4 | Citations (PDF) |
| 324 | Diffusion, Coalescence, and Reconstruction of Vacancy Defects in Graphene Layers | 8.2 | 507 | Citations (PDF) |
| 325 | Light coupling with multimode photonic crystal waveguides | 3.0 | 26 | Citations (PDF) |
| 326 | Representation of electronic structures in crystals in terms of highly localized quasiatomic minimal basis orbitals | 3.4 | 71 | Citations (PDF) |
| 327 | Waveguide networks in three-dimensional layer-by-layer photonic crystals | 3.0 | 30 | Citations (PDF) |
| 328 | Integrated horns for improved side coupling into in-plane three-dimensional photonic crystal waveguides | 3.0 | 9 | Citations (PDF) |
| 329 | Effect of chain connectivity on the structure of Lennard-Jones liquid and its implication on statistical potentials for protein folding | 2.1 | 1 | Citations (PDF) |
| 330 | Melting of small Sn clusters byab initiomolecular dynamics simulations | 3.4 | 50 | Citations (PDF) |
| 331 | Impedance of photonic crystals and photonic crystal waveguides | 3.0 | 47 | Citations (PDF) |
| 332 | Anomalous Propagation Loss in Photonic Crystal Waveguides | 8.2 | 29 | Citations (PDF) |
| 333 | Core energy and Peierls stress of a screw dislocation in bcc molybdenum: A periodic-cell tight-binding study | 3.4 | 108 | Citations (PDF) |
| 334 | Physical trends in amorphous carbon: A tight-binding molecular-dynamics study | 3.4 | 50 | Citations (PDF) |
| 335 | Molecule intrinsic minimal basis sets. II. Bonding analyses for Si4H6 and Si2 to Si10 | 2.8 | 58 | Citations (PDF) |
| 336 | Molecule intrinsic minimal basis sets. I. Exact resolution ofab initiooptimized molecular orbitals in terms of deformed atomic minimal-basis orbitals | 2.8 | 171 | Citations (PDF) |
| 337 | Ab initiomolecular dynamics simulation of liquidAlxGe1−xalloys | 3.4 | 6 | Citations (PDF) |
| 338 | Tight-Binding Molecular Dynamics for Carbon and Applications to Nanostructure Formation | 0.1 | 9 | Citations (PDF) |
| 339 | Lattice symmetry applied in transfer-matrix methods for photonic crystals | 2.0 | 80 | Citations (PDF) |
| 340 | Light propagation in semi-infinite photonic crystals and related waveguide structures | 3.4 | 91 | Citations (PDF) |
| 341 | Waveguides in three-dimensional layer-by-layer photonic crystals | 1.8 | 45 | Citations (PDF) |
| 342 | Origin of absorption enhancement in a tungsten, three-dimensional photonic crystal | 1.8 | 81 | Citations (PDF) |
| 343 | Structures and Fragmentations of Small Silicon Oxide Clusters by ab Initio Calculations | 2.5 | 101 | Citations (PDF) |
| 344 | Photonic band gap effect in layer-by-layer metallic photonic crystals | 2.0 | 50 | Citations (PDF) |
| 345 | Atomic-scale perspective on the origin of attractive step interactions on Si(113) | 3.4 | 12 | Citations (PDF) |
| 346 | Electronic structure of steppedSi(111)−(7×7): Theory and experiment | 3.4 | 4 | Citations (PDF) |
| 347 | Fabrication of photonic band gap crystal using microtransfer molded templates | 2.0 | 16 | Citations (PDF) |
| 348 | Heat-Induced Transformation of Nanodiamond into a Tube-Shaped Fullerene: A Molecular Dynamics Simulation | 8.2 | 46 | Citations (PDF) |
| 349 | Application of structural symmetries in the plane-wave-based transfer-matrix method for three-dimensional photonic crystal waveguides | 3.4 | 64 | Citations (PDF) |
| 350 | Propagation loss in three-dimensional photonic crystal waveguides with imperfect confinement | 3.4 | 11 | Citations (PDF) |
| 351 | Analytic modal solution to light propagation through layer-by-layer metallic photonic crystals | 3.4 | 29 | Citations (PDF) |
| 352 | Light propagation through photonic crystal waveguide bends by eigenmode examinations | 3.4 | 14 | Citations (PDF) |
| 353 | First-principles studies of structures and stabilities of Pb/Si(111) | 3.4 | 65 | Citations (PDF) |
| 354 | Atomic models, domain-wall arrangement, and electronic structure of the densePb/Si(111)−3×3phase | 3.4 | 41 | Citations (PDF) |
| 355 | Nonbasal deformation modes of HCP metals and alloys: Role of dislocation source and mobility | 2.1 | 280 | Citations (PDF) |
| 356 | Visible Frequency Thin Film Photonic Crystals from Colloidal Systems of Nanocrystalline Titania and Polystyrene Microspheres | 3.7 | 20 | Citations (PDF) |
| 357 | All-metallic three-dimensional photonic crystals with a large infrared bandgap | 37.9 | 614 | Citations (PDF) |
| 358 | Nonbasal deformation modes of HCP metals and alloys: Role of dislocation source and mobility | 2.1 | 86 | Citations (PDF) |
| 359 | Complete three-dimensional photonic bandgap in a simple cubic structure | 1.8 | 44 | Citations (PDF) |
| 360 | Guiding, bending, and splitting of electromagnetic waves in highly confined photonic crystal waveguides | 3.4 | 97 | Citations (PDF) |
| 361 | Structural characterization of thin film photonic crystals | 3.4 | 24 | Citations (PDF) |
| 362 | Molecular dynamic simulation of a homogeneousbcc→hcptransition | 3.4 | 37 | Citations (PDF) |
| 363 | Large-scale atomistic study of core structures and energetics of (()) dislocations in hexagonal close packed metals | 2.3 | 37 | Citations (PDF) |
| 364 | Correlated piecewise diffusion of a Ge ad-dimer on the Si(001) surface | 3.4 | 29 | Citations (PDF) |
| 365 | Spectroscopic Evidence for the Tricapped Trigonal Prism Structure of Semiconductor Clusters | 8.2 | 92 | Citations (PDF) |
| 366 | Role of the Metal/Semiconductor Interface in Quantum Size Effects: Pb/Si(111) | 8.2 | 146 | Citations (PDF) |
| 367 | Unique Dynamic Appearance of a Ge-Si Ad-dimer on Si(001) | 8.2 | 28 | Citations (PDF) |
| 368 | Laser-Induced Graphitization on a Diamond (111) Surface | 8.2 | 125 | Citations (PDF) |
| 369 | Correlations between the Scanning Tunneling Microscopy Imaged Configurations and the Electronic Structure on Stepped Si(111)-(7×7) Surfaces | 8.2 | 6 | Citations (PDF) |
| 370 | Modeling ionic mobilities by scattering on electronic density isosurfaces: Application to silicon cluster anions | 2.8 | 131 | Citations (PDF) |
| 371 | Metallic photonic crystals at optical wavelengths | 3.4 | 174 | Citations (PDF) |
| 372 | Dimer-flipping-assisted diffusion on a Si(001) surface | 3.0 | 2 | Citations (PDF) |
| 373 | Photonic crystal-based resonant antenna with a very high directivity | 2.0 | 171 | Citations (PDF) |
| 374 | Evaluation of Ionic Mobilities by Coupling the Scattering on Atoms and on Electron Density | 2.5 | 51 | Citations (PDF) |
| 375 | Structures and dynamical properties ofCn,Sin,Gen,andSnnclusters withnup to 13 | 3.4 | 189 | Citations (PDF) |
| 376 | Effect of disorder on photonic band gaps | 3.4 | 80 | Citations (PDF) |
| 377 | Photonic band-gap microcavities in three dimensions | 3.4 | 30 | Citations (PDF) |
| 378 | Calculated polarizabilities of intermediate-size Si clusters | 2.7 | 73 | Citations (PDF) |
| 379 | Waveguides in three-dimensional metallic photonic band-gap materials | 3.4 | 51 | Citations (PDF) |
| 380 | An environment-dependent tight-binding potential for Si | 2.3 | 140 | Citations (PDF) |
| 381 | Optical photonic crystals fabricated from colloidal systems | 3.0 | 197 | Citations (PDF) |
| 382 | Waveguide bends in three-dimensional layer-by-layer photonic bandgap materials | 1.0 | 36 | Citations (PDF) |
| 383 | Structures of Germanium Clusters: Where the Growth Patterns of Silicon and Germanium Clusters Diverge | 8.2 | 126 | Citations (PDF) |
| 384 | Title is missing! | 2.3 | 11 | Citations (PDF) |
| 385 | Structures of medium-sized silicon clusters | 37.9 | 638 | Citations (PDF) |
| 386 | A three-dimensional photonic crystal operating at infrared wavelengths | 37.9 | 1,072 | Citations (PDF) |
| 387 | Reflection properties of metallic photonic crystals | 2.5 | 16 | Citations (PDF) |
| 388 | Calculated structural-dependent optical properties of alloys TiNi, TiPd, and TiPt | 3.4 | 13 | Citations (PDF) |
| 389 | Ab initiophonon dynamics of iridium | 2.3 | 23 | Citations (PDF) |
| 390 | Theoretical investigation of off-plane propagation of electromagnetic waves in two-dimensional photonic crystals | 3.4 | 23 | Citations (PDF) |
| 391 | Resonant cavity enhanced detectors embedded in photonic crystals | 3.0 | 61 | Citations (PDF) |
| 392 | Hydrogen-induced structural changes in tetrahedral amorphous carbon | 3.4 | 12 | Citations (PDF) |
| 393 | Theoretical investigation of defects in photonic crystals in the presence of dielectric losses | 3.4 | 28 | Citations (PDF) |
| 394 | Dissociation Energies of Silicon Clusters: A Depth Gauge for the Global Minimum on the Potential Energy Surface | 8.2 | 71 | Citations (PDF) |
| 395 | Ionization of medium-sized silicon clusters and the geometries of the cations | 2.8 | 169 | Citations (PDF) |
| 396 | Ab initiophonon dynamics of rhodium from a generalized supercell approach | 3.4 | 20 | Citations (PDF) |
| 397 | Optimizing the Q value in three-dimensional metallic photonic band gap crystals | 2.0 | 13 | Citations (PDF) |
| 398 | Environment-dependent tight-binding model for molybdenum | 3.4 | 70 | Citations (PDF) |
| 399 | Ad-Dimer Diffusion between Trough and Dimer Row on Si(100) | 8.2 | 33 | Citations (PDF) |
| 400 | Energetics of vacancy and substitutional impurities in aluminum bulk and clusters | 3.4 | 54 | Citations (PDF) |
| 401 | Prediction of a {1122} hcp stacking fault using a modified generalized stacking-fault calculation | 0.8 | 107 | Citations (PDF) |
| 402 | Structural Trends in Amorphous Carbon | 0.1 | 5 | Citations (PDF) |
| 403 | Band-reject infrared metallic photonic band gap filters on flexible polyimide substrate | 0.1 | 0 | Citations (PDF) |
| 404 | Environment-Dependent Tight-Binding Potential Model | 0.1 | 6 | Citations (PDF) |
| 405 | Environment-Dependent Tight-Binding Model for Molybdenum | 0.1 | 5 | Citations (PDF) |
| 406 | A tight-binding molecular dynamics study of phonon anharmonic effects in diamond and graphite | 2.3 | 13 | Citations (PDF) |
| 407 | Infrared filters using metallic photonic band gap structures on flexible substrates | 3.0 | 79 | Citations (PDF) |
| 408 | Effect of the magnetic permeability on photonic band gaps | 3.4 | 83 | Citations (PDF) |
| 409 | Structural and electronic properties of the martensitic alloys TiNi, TiPd, and TiPt | 3.4 | 115 | Citations (PDF) |
| 410 | Material simulations with tight-binding molecular dynamics | 0.4 | 17 | Citations (PDF) |
| 411 | Dipole antennas on photonic band-gap crystals?Experiment and simulation | 1.0 | 59 | Citations (PDF) |
| 412 | Environment-dependent tight-binding potential model | 3.4 | 254 | Citations (PDF) |
| 413 | Photonic band gaps with layer‐by‐layer double‐etched structures | 2.0 | 11 | Citations (PDF) |
| 414 | Tight-binding molecular dynamics for materials simulations | 1.4 | 7 | Citations (PDF) |
| 415 | A layer‐by‐layer metallic photonic band‐gap structure | 3.0 | 64 | Citations (PDF) |
| 416 | First-principles calculation of the longitudinal phonon in the surface-normal direction of a zirconium(0001) slab: Localization mode at the subsurface | 3.4 | 7 | Citations (PDF) |
| 417 | Genetic-algorithm energy minimization for point charges on a sphere | 3.4 | 114 | Citations (PDF) |
| 418 | First-principles calculation of oxygen adsorption on Zr(0001) surface: Possible site occupation between the second and the third layer | 3.4 | 48 | Citations (PDF) |
| 419 | Defect structures in metallic photonic crystals | 3.0 | 83 | Citations (PDF) |
| 420 | Wave propagation in nonlinear photonic band-gap materials | 3.4 | 66 | Citations (PDF) |
| 421 | Tight-binding study of tilt grain boundaries in diamond | 3.4 | 57 | Citations (PDF) |
| 422 | Theoretical and experimental study of silicon‐based angular filters | 3.0 | 9 | Citations (PDF) |
| 423 | Structure and dynamics at the Pt(100)‐surface | 2.6 | 4 | Citations (PDF) |
| 424 | Relationship between structure and conductivity in liquid carbon | 3.4 | 53 | Citations (PDF) |
| 425 | Vibrational modes inC70: A first-principles study | 3.4 | 23 | Citations (PDF) |
| 426 | Anomalous Phonon Behavior and Phase Fluctuations in bcc Zr | 8.2 | 28 | Citations (PDF) |
| 427 | Laser‐micromachined millimeter‐wave photonic band‐gap cavity structures | 3.0 | 39 | Citations (PDF) |
| 428 | Defect structures in a layer-by-layer photonic band-gap crystal | 3.4 | 93 | Citations (PDF) |
| 429 | Structures and energies of compression twin boundaries inhcpTi and Zr | 0.8 | 26 | Citations (PDF) |
| 430 | A Tight-Binding Model Beyond Two-Center Approximation | 0.1 | 3 | Citations (PDF) |
| 431 | Order-Nspectral method for electromagnetic waves | 3.4 | 246 | Citations (PDF) |
| 432 | Molecular Geometry Optimization with a Genetic Algorithm | 8.2 | 1,101 | Citations (PDF) |
| 433 | Optimized dipole antennas on photonic band gap crystals | 3.0 | 59 | Citations (PDF) |
| 434 | Calculating Accurate Free Energies of Solids Directly from Simulations | 8.2 | 24 | Citations (PDF) |
| 435 | Metallic photonic band-gap materials | 3.4 | 266 | Citations (PDF) |
| 436 | Tight-binding molecular dynamics with linear system-size scaling | 2.3 | 107 | Citations (PDF) |
| 437 | The electronic structure of diamond-like amorphous carbon | 2.3 | 20 | Citations (PDF) |
| 438 | Measurement of a three-dimensional photonic band gap in a crystal structure made of dielectric rods | 3.4 | 232 | Citations (PDF) |
| 439 | Surface band structures on Nb(001) | 3.4 | 40 | Citations (PDF) |
| 440 | Electromagnetic-wave propagation through dispersive and absorptive photonic-band-gap materials | 3.4 | 94 | Citations (PDF) |
| 441 | Wang and Ho reply | 8.2 | 5 | Citations (PDF) |
| 442 | A first-principles study of compression twins in h.c.p. zirconium | 1.1 | 16 | Citations (PDF) |
| 443 | Structural trends in amorphous carbon | 3.4 | 37 | Citations (PDF) |
| 444 | Pseudoelastic behavior of hypostoichiometric NiAl alloys: A simple model | 3.4 | 7 | Citations (PDF) |
| 445 | Double‐etch geometry for millimeter‐wave photonic band‐gap crystals | 3.0 | 55 | Citations (PDF) |
| 446 | Range of forces on host-metal atoms around interstitial hydrogen in Pd and Nb | 3.4 | 27 | Citations (PDF) |
| 447 | Experimental and theoretical results for a two‐dimensional metal photonic band‐gap cavity | 3.0 | 171 | Citations (PDF) |
| 448 | Structure of Collapsed Solid C
60 | 1.8 | 19 | Citations (PDF) |
| 449 | Melting line of aluminum from simulations of coexisting phases | 3.4 | 513 | Citations (PDF) |
| 450 | Micromachined millimeter‐wave photonic band‐gap crystals | 3.0 | 231 | Citations (PDF) |
| 451 | Density-functional energies and forces with Gaussian-broadened fractional occupations | 3.4 | 155 | Citations (PDF) |
| 452 | Transferable tight-binding models for silicon | 3.4 | 312 | Citations (PDF) |
| 453 | Terahertz spectroscopy of three-dimensional photonic band-gap crystals | 3.0 | 106 | Citations (PDF) |
| 454 | First-principles calculations of the surface relaxation and electronic structure of Zr(0001) | 3.4 | 33 | Citations (PDF) |
| 455 | Structure and Electronic Properties of Diamond-Like Amorphous Carbon | 0.1 | 1 | Citations (PDF) |
| 456 | Structural and electronic properties of large fullerenes | 0.3 | 5 | Citations (PDF) |
| 457 | Melting of carbon cages | 0.3 | 14 | Citations (PDF) |
| 458 | Structure, dynamics, and electronic properties of diamondlike amorphous carbon | 8.2 | 260 | Citations (PDF) |
| 459 | Structure and dynamics of liquid carbon | 3.4 | 43 | Citations (PDF) |
| 460 | The geometry of large fullerene cages: C72 to C102 | 2.8 | 114 | Citations (PDF) |
| 461 | Effective dielectric constant of periodic composite structures | 3.4 | 169 | Citations (PDF) |
| 462 | Equilibrium point defects in intermetallics with theB2 structure: NiAl and FeAl | 3.4 | 219 | Citations (PDF) |
| 463 | Tight-binding molecular-dynamics simulation of buckyball collisions | 3.1 | 38 | Citations (PDF) |
| 464 | Simulated-annealing studies of structural trends in carbon clusters | 3.4 | 28 | Citations (PDF) |
| 465 | Tight-binding molecular-dynamics study of amorphous carbon | 8.2 | 147 | Citations (PDF) |
| 466 | Accelerating the convergence of force calculations in electronic-structure computations | 3.4 | 31 | Citations (PDF) |
| 467 | Vibrational spectra ofC84isomers | 3.4 | 21 | Citations (PDF) |
| 468 | Photonic band gaps and defects in two dimensions: Studies of the transmission coefficient | 3.4 | 166 | Citations (PDF) |
| 469 | Thermal disintegration of carbon fullerenes | 3.4 | 48 | Citations (PDF) |
| 470 | First-principles phonon and multiple-scattering electron-energy-loss-spectra studies of Cu(111) and Ag(111) | 8.2 | 51 | Citations (PDF) |
| 471 | First-principles study of vibrational modes in icosahedralC60 | 3.4 | 62 | Citations (PDF) |
| 472 | First-principles pseudopotential calculations for hydrogen in 4d transition metals. I. Mixed-basis method for total energies and forces | 2.3 | 96 | Citations (PDF) |
| 473 | First-principles pseudopotential calculations for hydrogen in 4d transition metals. II. Vibrational states for interstitial hydrogen isotopes | 2.3 | 53 | Citations (PDF) |
| 474 | Systematic study of structures and stabilities of fullerenes | 3.4 | 92 | Citations (PDF) |
| 475 | Structural and electronic properties ofC84: A first-principles study | 8.2 | 61 | Citations (PDF) |
| 476 | Structure and dynamics ofC60andC70from tight-binding molecular dynamics | 3.4 | 59 | Citations (PDF) |
| 477 | Tight-binding molecular-dynamics study of the hydrogen vibration spectrum on a Si(111) surface | 3.4 | 24 | Citations (PDF) |
| 478 | Tight-binding model for hydrogen-silicon interactions | 3.4 | 44 | Citations (PDF) |
| 479 | Tight-binding molecular-dynamics study of liquid Si | 3.4 | 66 | Citations (PDF) |
| 480 | Ding, Chan, and Ho reply | 8.2 | 37 | Citations (PDF) |
| 481 | Initial growth mode of Au on Ag(110) studied with first-principles calculations | 8.2 | 56 | Citations (PDF) |
| 482 | First-principles total-energy calculation of gallium nitride | 3.4 | 110 | Citations (PDF) |
| 483 | Photonic band gaps in periodic dielectric structures: The scalar-wave approximation | 3.4 | 27 | Citations (PDF) |
| 484 | Hydrogen in yttrium via first-principles total-energy calculations | 3.4 | 9 | Citations (PDF) |
| 485 | Disintegration and formation of fullerene (C60) | 3.1 | 79 | Citations (PDF) |
| 486 | Tight-Binding Molecular Dynamics Study of Liquid and Amorphous Carbon | 0.1 | 1 | Citations (PDF) |
| 487 | Search for the ground‐state structure of C84 | 2.8 | 72 | Citations (PDF) |
| 488 | The geometry of small fullerene cages: C20 to C70 | 2.8 | 153 | Citations (PDF) |
| 489 | A transferable tight-binding potential for carbon | 2.3 | 580 | Citations (PDF) |
| 490 | Role of non-symmetry-breaking order parameters in determining the martensitic energy barrier: The bcc-to-9Rtransformation | 3.4 | 28 | Citations (PDF) |
| 491 | Theory of the thermal expansion of Si and diamond | 3.4 | 160 | Citations (PDF) |
| 492 | Vibrational states for hydrogen in palladium | 3.4 | 59 | Citations (PDF) |
| 493 | Tight-binding molecular-dynamics study of defects in silicon | 8.2 | 160 | Citations (PDF) |
| 494 | Au(111): A theoretical study of the surface reconstruction and the surface electronic structure | 3.4 | 153 | Citations (PDF) |
| 495 | Molecular-dynamics simulation of thermal conductivity in amorphous silicon | 3.4 | 156 | Citations (PDF) |
| 496 | Calculation of the temperature dependence of the vibrational modes of molybdenum | 2.3 | 6 | Citations (PDF) |
| 497 | Characterization of surface phonons on Cu(001) and Ag(001): First-principles phonon calculations with experimental and theoretical studies of high-resolution electron-energy-loss spectra | 3.4 | 47 | Citations (PDF) |
| 498 | Reconstruction of the (100) surfaces of Au and Ag | 3.4 | 56 | Citations (PDF) |
| 499 | Structure of the (√3 × √3 )R30° Ag/Si(111) surface from first-principles calculations | 8.2 | 196 | Citations (PDF) |
| 500 | Comment on ‘‘Theory of photon bands in three-dimensional periodic dielectric structures’’ | 8.2 | 10 | Citations (PDF) |
| 501 | Adsorption geometry and saturation coverage of Na on the Si(100)-(2×1) surface: First-principles calculations | 3.4 | 25 | Citations (PDF) |
| 502 | Effect of phonon anomalies on the shear response of martensitic crystals | 8.2 | 10 | Citations (PDF) |
| 503 | Photonic Band Gaps in Experimentally Realizable Periodic Dielectric Structures | 1.8 | 141 | Citations (PDF) |
| 504 | Comment on ‘‘Observation and structural determination of √3×√3)R30°reconstruction of the Si(111) surface’’ | 8.2 | 5 | Citations (PDF) |
| 505 | Cohesive properties of crystalline solids by the generalized gradient approximation | 3.4 | 58 | Citations (PDF) |
| 506 | Relativistic effects on ground state properties of 4d and 5d transition metals | 2.3 | 156 | Citations (PDF) |
| 507 | Existence of a photonic gap in periodic dielectric structures | 8.2 | 2,172 | Citations (PDF) |
| 508 | Tight-binding molecular-dynamics study of phonon anharmonic effects in silicon and diamond | 3.4 | 183 | Citations (PDF) |
| 509 | First-principles calculations of equilibrium ground-state properties of Au and Ag | 3.4 | 63 | Citations (PDF) |
| 510 | External-charge-induced surface reconstruction on Ag(110) | 8.2 | 165 | Citations (PDF) |
| 511 | Theoretical study of noble-metal (100) surface reconstructions using first-principles techniques | 8.2 | 74 | Citations (PDF) |
| 512 | Phonon dispersion measurements and first-principles calculations for the Au(110) surface | 3.4 | 24 | Citations (PDF) |
| 513 | Electronic structure of dangling and floating bonds in amorphous silicon | 8.2 | 82 | Citations (PDF) |
| 514 | Model for thec(2×2) structure induced by K on Au(110) | 3.4 | 34 | Citations (PDF) |
| 515 | Self-consistent calculation of the surface electronic structure of the (1×2) reconstructed Au(110) surface | 3.4 | 24 | Citations (PDF) |
| 516 | Comparison of Helium Atom Scattering Surface Phonon Dispersion Curves of the (1 × 2) Reconstructed Au(110) Surface with First-Principle Calculations | 1.8 | 21 | Citations (PDF) |
| 517 | Empirical tight-binding force model for molecular-dynamics simulation of Si | 3.4 | 123 | Citations (PDF) |
| 518 | Molecular-dynamics study of anharmonic effects in silicon | 3.4 | 54 | Citations (PDF) |
| 519 | Role of Surface-State Nesting in the Incommensurate Reconstruction of Mo(001) | 8.2 | 71 | Citations (PDF) |
| 520 | First-principles study of the pressure-induced bcc-hcp transition in Ba | 3.4 | 81 | Citations (PDF) |
| 521 | Surface-phonon calculations for the Al(110) surface | 3.4 | 28 | Citations (PDF) |
| 522 | Charge-transfer effects in graphite intercalates:Ab initiocalculations and neutron-diffraction experiment | 8.2 | 127 | Citations (PDF) |
| 523 | Zone-center phonon frequencies for graphite and graphite intercalation compounds: Charge-transfer and intercalate-coupling effects | 3.4 | 70 | Citations (PDF) |
| 524 | First-Principles Calculation of Surface Phonons on the Al(110) Surface | 8.2 | 107 | Citations (PDF) |
| 525 | Investigation of multilayer relaxation on Al(110) with the use of self-consistent total-energy calculations | 3.4 | 134 | Citations (PDF) |
| 526 | Dielectric matrix scheme for fast convergence in self-consistent electronic-structure calculations | 3.4 | 121 | Citations (PDF) |
| 527 | Non-conservation of in photoemission into electrolytes | 1.7 | 2 | Citations (PDF) |
| 528 | Non-conservation of k‖ in photoemission into electrolytes | 0.1 | 0 | Citations (PDF) |
| 529 | Observation of Surface States on Ag(100) by Infrared and Visible Electroreflectance Spectroscopy | 8.2 | 122 | Citations (PDF) |
| 530 | Surface-State Contribution to the Electroreflectance of Noble Metals | 8.2 | 104 | Citations (PDF) |
| 531 | Self-consistent mixed-basis approach to the electronic structure of solids | 3.4 | 455 | Citations (PDF) |
| 532 | Self-consistent pseudopotential calculations for the ideal (001) surface of Nb | 3.4 | 63 | Citations (PDF) |
| 533 | Surface States on the (001) Surface of Nb | 8.2 | 49 | Citations (PDF) |
| 534 | A random-sampling method as an efficient alternative to variational Monte Carlo for solving Gutzwiller wavefunctions | 1.5 | 1 | Citations (PDF) |
| 535 | <i>Ab initio</i>
calculation of atomic solid hydrogen phases based on Gutzwiller many-body wave functions | 2.3 | 0 | Citations (PDF) |
| 536 | Pressure-induced
B
1
to
B
2
phase transition in CeN studied by
a
b
| 3.4 | 0 | Citations (PDF) |
