Physical Review Materials

Papers
(The TQCC of Physical Review Materials is 6. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-10-01 to 2025-10-01.)
ArticleCitations
Ab initio tight-binding models for mono- and bilayer hexagonal boron nitride ( h -BN)111
Overcoming the pulse-width limitation of third-order optical nonlinearity for above bandgap excitation in nanoparticles108
Intermediate temperature structural modulation and properties of CoIn2101
Influence of solutes on the core structures of a -type sc78
EXAFS sheds light on short-range ordering in Ge76
Tuning of the dimensionality in an S=1/274
Free-standing zirconia metasurfaces for microwave resonant polarization conversion69
Mg dopants in lithium niobate ( LiNbO3 , LN): Defect models and impact on dom67
Direct comparison of magnetic penetration depth in kagome superconductors A65
Exotic surface magnetotransport phenomena in the antiferromagnetic Mott insulator Ni62
THz-induced activation of hidden states in rare-earth-doped BiFeO3 solid so60
Buffer-layer effect on the ferromagnetism of manganite heterojunctions59
Linear nonsaturating magnetoresistance and superconductivity in epitaxial thin films of YbSb256
Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures50
Erratum: Can the noble metals (Au, Ag, and Cu) be superconductors? [Phys. Rev. Materials 8 , L101801 (2024)]48
Structure-driven prediction of magnetic order in uranium compounds48
Octahedral distortions in SrNbO3 : Unraveling the structure-property relatio48
Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111)47
Near-field thermal radiation of germanium selenide single layer45
Kinetics of orbital ordering in cooperative Jahn-Teller models: Machine-learning enabled large-scale simulations45
Insensitivity of nucleation rate to order-disorder interfaces in reversible thermoelastic martensitic transformations43
Enhanced mobility of ternary InGaAs quantum wells through digital alloying41
Essential role of magnetic frustration in the phase diagrams of doped cobaltites41
Band gaps of halide perovskites from a Wannier-localized optimally tuned screened range-separated hybrid functional37
Mechanical regularization36
Kinetically controlled composition of III-V ternary nanostructures36
Surface termination control of charge transfer and band alignment across a semiconductor–crystalline-oxide heterojunction36
Ordered and disordered phases in CaCu5 -type derived structures: Dumbbell cl35
Emergence of cubic ordered full-plane persistent spin textures in lead-free materials35
Tunable magnon topology in monolayer CrI3 under external stimuli34
Record-large magnetically driven polarization in room temperature ferromagnets OsX34
Molecular dynamics of the early stages of high-temperature corrosion34
Specular inverse Faraday effect in transition metals33
ScOx rich surface terminations on lanthanide scandate nanoparticles33
High-refractive-index materials screening from machine learning and ab initio methods33
Magnetic phase transition induced ferroelectric polarization in BaFeF4 with32
Direct determination of the charge transition level of dopants in oxides by x-ray photoelectron spectroscopy31
Magnetic compensation and preferential substitution site for Ag in Mn30
Intertwined magnetization and exchange bias reversals across compensation temperature in YbCr30
Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates30
Minimal and versatile description of diffusion and swelling in polymer-solvent systems: Modeling and experimental validation30
Deep machine learning potential for atomistic simulation of Fe-Si-O systems under Earth's outer core conditions29
NbReSi: A noncentrosymetric superconductor with large upper critical field29
Electronic and optical properties of Janus-like hexagonal monolayer materials of group IV-VI29
Unconventional Landau level transitions in Weyl semimetal NbP29
Avalanche dynamics and the effect of straining in dislocation systems with quenched disorder29
Correlation effects in two-dimensional MX229
Many-body mechanochemistry: Intramolecular strain in condensed matter chemistry29
Origins of background signal effects in all-metallic non-local spin valves29
Hybrid nodal-ring phonons with hourglass dispersion in AgAlO229
Tuning of structure and host dynamics via yttrium doping in Bi229
Deformation-induced medium-range order changes in bulk metallic glasses29
Determination of spin Hall angle in the Weyl ferromagnet Co2MnGa28
Generation and routing of nanoscale droplet solitons without compensation of magnetic damping27
Latent space active learning with message passing neural network: The case of HfO227
Erratum: Anomalous band renormalization due to a high-energy kink in K27
Highly interpretable machine learning framework for prediction of mechanical properties of nickel based superalloys26
Erratum: Bridging particle deformability and collective response in soft solids [Phys. Rev. Materials 5 , 055605 (2021)]26
Tailored pseudopotentials for magnesium surface core level shift calculations25
Accurateab initiomodeling of solid solution strengthening in high entropy alloys25
Epitaxial strain-tuned oxygen vacancy formation, reduction behavior, and electronic structure of perovskite SrIr25
Field-dependent nonelectronic contributions to thermal conductivity in a metallic ferromagnet with low Gilbert damping25
Density functional theory study ofNOH25
Vacancy-mediated transport and segregation tendencies of solutes in fcc nickel under diffusional creep: A density functional theory study25
Effect of crystallinity on spin-orbit torque in 5 d iridium oxide IrO 24
Interplay of surface transfer doping and Burstein Moss shift in V2<24
Structure prediction of stable sodium germanides at 0 and 10 GPa24
Probing the uniaxial strain-dependent valley drift and Berry curvature in monolayer MoSi224
Optical phonons and magnetoelastic coupling in the ionic conductor AgCrSe223
Theoretical insights into inorganic antiperovskite nitrides ( X323
Database mining and first-principles assessment of organic proton-transfer ferroelectrics23
Driving force induced transition in thermal behavior of grain boundary migration in Ni23
Kinetic fragility directly correlates with the many-body static amorphous order in glass-forming liquids23
Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials23
External screening and lifetime of exciton population in single-layer ReSe2 23
Nonmonotonic effect of chemical heterogeneity on interfacial crack growth at high-angle grain boundaries in Fe-Ni-Cr alloys23
Electronic structure of nitrogen-doped lutetium hydrides22
Machine-learned search for the stable structures of silicene on Ag(111)22
Valleytronics and negative differential resistance in cubic boron nitride: A first-principles study22
Evidence of a first-order magnetic transition in HoPtSn22
Length and torsion dependence of thermal conductivity in twisted graphene nanoribbons22
Theory of polymers in binary solvent solutions: Mean-field free energy and phase behavior22
Impact of oxygen ordering on titanium lattice parameters22
Structure and related properties of amorphous magnesium aluminosilicates22
Low-intensity illumination induced relaxation and charge transport behavior of single crystal halide perovskites22
Hybrid functionals for periodic systems in the density functional tight-binding method22
Low contact resistance and electrical transport improvement obtained by surface adsorption strategy in blue phosphorene field-effect transistor22
Morphology selection in dealloying: A phase field study of the coupling among kinetic mechanisms22
Crystal growth and evolution of magnetism in the EuCuP-EuCuAs solid solution22
Sequences of dislocation reactions and helicity transformations in tubular crystals22
Novel polymorphs and polytypes of lithium chloride from structure predictions based on charge equilibration via neural network technique22
Observation of magnetic field-induced second magnetic ordering and peculiar ferroelectric polarization in L-type ferrimagnetic 21
Origin of antiferroelectricity in NaNbO321
Liquid-solid and vapor-solid distributions of vapor-liquid-solid III-V ternary nanowires21
Infrared dielectric functions and Brillouin zone center phonons of αGa21
Physical properties of Ce3+x21
Logarithmic versus Andrade's transient creep: Role of elastic stress redistribution21
Analysis of atomic structure, magnetic ordering, and oxygen diffusion in oxygen deficient Sr21
Multi-mem behavior at reduced voltages in La1/220
Changes in the crystallization sequence upon sulfur addition in the Zr52.520
Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte Li620
Competing polar and antipolar phases in n=2 Ruddlesden-Pop20
Fast and accurate prediction of material properties with three-body tight-binding model for the periodic table20
Optimizing the adsorption strength of oxygen intermediates on NiCo<20
Strain-engineering of magnetic anisotropy in Cox20
Layer-dependent Raman spectroscopy of ultrathin Ta2Pd20
Dynamic length scale and weakest link behavior in crystal plasticity20
Challenges to magnetic doping of thin films of the Dirac semimetal Cd320
Static magnetic and ESR spectroscopic properties of the dimer-chain antiferromagnet BiCoPO20
Erratum: Energy scales in 4f1 delafos20
Theoretical exploration of mechanical and superconducting properties of two-dimensional Cairo penta- BP220
Iterative cluster expansion approach for predicting the structure evolution of mixed Ruddelsden-Popper oxides La20
Finite-temperature properties of CsPbI3 thin films19
Impact of dynamic Jahn-Teller effect on magnetic excitations, lattice vibration, and thermal conductivity in 19
Physical properties of intergrowth compound Eu2CuZn19
First-principles study of magnetic states and the anomalous Hall conductivity of MNb19
Hydroflux-controlled growth of magnetic K-Cu-Te-O(H) phases19
Magnetization and antiferromagnetic coupling of the interface between a 20 nm Y19
Diluting a triangular-lattice spin liquid: Synthesis and characterization of NaYb119
Magnetic properties of the quasi-one-dimensional S=1 spin 19
First-principles investigation of elastic, vibrational, and thermodynamic properties of kagome metals CsM19
Magnetic field-induced tetragonal domain alignment and structural distortion in the spin-orbit-coupled insulator B19
Phase diagram of growth modes in graphene growth on copper by vapor deposition19
Potential for exciton condensation in a highly conductive amorphous polymer19
Hysteresis and energy barriers in soft magnets18
Carbon-induced magnetic properties and anomalous Hall effect in Co218
Isotropic orbital magnetic moments in magnetically anisotropic SrRuO3 films18
Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning18
Laser-induced demagnetization in van der Waals XY - and Ising-like antiferro18
Magnetism in metastable and annealed compositionally complex alloys18
Epitaxial growth and stoichiometry control of pyrochlore Nd2<18
Electron-optical phonon scattering in doped GaAs quantum well18
Anomalous and parallel Hall effects in ferromagnetic Weyl metal Cr318
First-principles study of dynamic instability and phase transformation in the WRe and WOs sigma phase18
Physical origin of depolarization effects in HfO2 films18
Probing the interface and individual layers in cuprate/manganite heterostructures by Raman spectroscopy18
Influence of an Al2O318
Regulation mechanisms of electron-delocalized single transition metal-doped Mo217
Disentangling photoexcitation and photoluminescence processes in defective MgO17
Inelastic neutron spectra of polyacrylonitrile-based carbon fibers17
Quantum spin fluctuations and hydrogen bond network in the antiferromagnetic natural mineral henmilite17
THz and sub-THz antiferromagnetic magnons via magnetoacoustic resonances excited by picosecond strain pulses in NiO17
Electric field induced phototransport in dye-doped semiconducting polymer17
Native defects, hydrogen impurities, and metal dopants in CeO217
How does your gyroid grow? A mesoatomic perspective on supramolecular, soft matter network crystals17
Tuning the electronic structure of the trichloride honeycomb lattice by transition metal substitution17
Electron-phonon coupling and thermal conductivity of MAB compounds17
Carbonization-driven motion of Si islands on epitaxial graphene17
Emergence of ferromagnetism through the metal-insulator transition in undoped indium tin oxide films17
Electronic structure of a nodal line semimetal candidate TbSbTe17
Effect of crystal defects in iron on carbon diffusivity: Analytical model married to atomistics17
Current-induced magnetization switching in a magnetic topological insulator heterostructure17
Shear-band cavitation determines the shape of the stress-strain curve of metallic glasses17
Single-crystalline PbTe film growth through reorientation17
Electrical detection of domain evolution in magnetic Weyl semimetal Co316
Doubling the mobility of InAs/InGaAs selective area grown nanowires16
Origin of negative anisotropic magnetoresistance effect in Fe0.7516
Potential high-performance magnet materials: Co- and Al-alloyed Sm216
Single-crystal growth and magnetic properties of quasi-one-dimensional Ce316
Effects of isovalent substitution on the structure and properties of Fe0.2516
Charge carrier coupling to the soft phonon mode in a ferroelectric semiconductor16
Correlated anharmonicity and dynamic disorder control carrier transport in halide perovskites16
Ab initio tensile tests applied to bcc refractory alloys16
Singular angular magnetoresistance and sharp resonant features in a high-mobility metal with open orbits, ReO16
Mixed excitonic nature in water-oxidized BiVO4 surfaces with defects16
Speed of sound and elastic properties of single crystals of inorganic and hybrid lead-free iodide perovskites obtained by femtosecond transient optical reflectivity16
Memory effect in photochromic rare-earth oxyhydride thin films studied by in situ positron annihilation spectroscopy upon photodarkening-bleaching cycling16
Molecular dynamics study of hydrogen Cottrell atmosphere in aluminum: Influence of solute-solute interactions in the dislocation core16
Nanostructure and phase engineering of manganese oxide thin films grown by pulsed laser deposition: A Raman and XRD study16
Studies of two-dimensional material resistive random-access memory by kinetic Monte Carlo simulations16
Ballistic spin-transport properties of magnetic tunnel junctions with MnCr-based ferrimagnetic quaternary Heusler alloys16
Spin-reorientation-driven temperature-dependent intrinsic anomalous Hall conductivity observed in Fe316
Role of material-dependent properties in THz field-derivative-torque-induced nonlinear magnetization dynamics16
Density-functional theory and triply-periodic minimal surfaces15
Lattice quantum geometry controlling 118 K multigap superconductivity in heavily overdoped CuB15
Phonon-mediated superconductivity near the lattice instability in hole-doped hydrogenated monolayer hexagonal boron nitride15
Low temperature oxidation of amorphous silicon nanoparticles15
Gapless dynamic magnetic ground state in the charge-gapped trimer iridate Ba415
Hydrogen-impurity-induced unconventional magnetism in semiconducting molybdenum ditelluride15
Superconductivity in thin films of RuN15
Universal framework to determine solid solution strengthening from dilute to concentrated alloys15
Structural and magnetic phase transitions in Fe3Ge15
Analysis of real-space transport channels for electrons and holes in halide perovskites15
Predicting magnetic properties of van der Waals magnets using graph neural networks15
Anharmonic thermo-elasticity of tungsten from accelerated Bayesian adaptive biasing force calculations with data-driven force fields15
Two-dimensional superconductivity in a bulk superlattice van der Waals material Ba615
Evolution of charge density waves from three-dimensional to quasi-two-dimensional in kagome superconductors Cs15
Atomistic modeling of Li- and post-Li-ion batteries15
Effect of Ti-doping on the dimer transition in Lithium Ruthenate15
Scattering mechanisms in state-of-the-art GaAs/AlGaAs quantum wells15
Influence of Cu and Ge chemical doping on the metastability and charge density wave state of β15
Crystal growth, transport, and magnetic properties of quasi-one-dimensional L15
Tuning the magnetic anisotropy in artificially layered Mn3GaN15
Synthesis and physical properties of a new layered ferromagnet Cr1.2115
Imaging coherent phonons and precursor dynamics in LaFeAsO with 4D ultrafast electron microscopy15
Spectroscopic investigations of multiple environments in Er: CaWO4 through c15
Investigation of weak antilocalization and π -Berry phase by quantum oscillation in ferromagnetic Weyl semimetals15
Transport spin polarization of noncollinear antiferromagnetic antiperovskites14
Quantum criticality linked to the suppressed superconducting upper critical field in Ni-doped CeCoIn514
Deformation and slip systems of CaCl2 -type 14
Ab initio construction of full phase diagram of MgO-CaO eutectic system using neural network interatomic potentials14
Structure transition and zigzag magnetic order in Ir/Rh-substituted honeycomb lattice α14
Electronic, adsorption, and hydration structures of water-contained Na-montmorillonite and Na-beidellite through the first-principles method combined with the classical solution theory14
Electron-magnon scattering in an anisotropic half-metallic ferromagnetic Weyl semimetal Co14
Common defects in diamond lattices as instances of the general T 14
Thermoelectric transport properties of the quasi-one-dimensional dimer-Mott insulator β14
Unconventional superconducting pairing in a B20 multifold Weyl fermion semimetal14
Theoretical models of double twinning in magnesium14
Geometrical control of disorder-induced magnetic domains in planar synthetic antiferromagnets14
Direct evidence of induced magnetic moment in Se and the role of misplaced Mn in MnBi214
Electronic structure of antiferromagnetic Dirac semimetal candidate GdIn314
Prediction of strong topological insulator phase in kagome metal R14
High-pressure Na3(14
Tilt-driven antiferroelectricity in PbZrO314
Probing complex stacking in a layered material via electron-nuclear quadrupolar coupling13
Charge state and entropic effects affecting the formation and dynamics of divacancies in 3C-SiC13
Interplay of itinerant magnetism and spin-glass behavior inFex13
Structural transition at the subsurface of few-layer Bi(110) film during the growth13
Random forest prediction of crystal structure from electron diffraction patterns incorporating multiple scattering13
Incommensurate magnetic ordering and a possible structural transition in EuIn413
Observing structural distortions in a LaMnO3 bilayer heterostructure on var13
Erratum: Prediction of strong topological insulator phase in kagome metal R13
Mechanical behavior of reactive Al/Ni multilayers by molecular dynamics simulations13
Navigating the Ti-C-O and Al-C-O ternary systems through theory-driven discovery13
Effect of a temperature gradient on the screening properties of ionic fluids13
High thermal conductivity and thermal boundary conductance of homoepitaxially grown gallium nitride (GaN) thin films13
Onset of vacancy-mediated high activation energy leads to large ionic conductivity in two-dimensional layered Cs13
Interplay of hydrogen boride sheets with water: An insight into edge stability13
BA2N13
Giant anisotropic magnetoresistance at low magnetic fields in a layered semiconductor13
Resistance minimum in LaAlO3/13
Atomic-level study on the interaction of plastic slip with Σ3{13
Recurrence of superconductivity in thickness-gradient L13
Ab initio prediction of nontrivial topological band and superconductivity in stable metallic Si allotropes at ambient pressure13
Controlling dual Mott states by hydrogen doping to perovskite rare-earth nickelates13
Searching for low thermal conductivity materials for thermal barrier coatings: A theoretical approach13
Possible Wigner states in CrI3 heterostructures with graphene: A tight-bind13
Generalized universal equation of states for magnetic materials: A novel formulation for an interatomic potential in Fe13
Importance of the 4p states of As and the interlayer cation states in LaFe213
Band structure of Bi surfaces formed on Bi2Se13
Using optical spectroscopy to probe the impact of atomic disorder on the Heusler alloy C13
Hybrid improper dipolar density wave in NaLaCoWO613
Bidisperse ring polymers: Topological glass to stacking12
Bulk and surface electronic structure of Bi412
Rashba and Zeeman splitting in non-magnetic and non-centrosymmetric MXene Ta212
REMatch plus SOS: Machine-learning-accelerated structure prediction for supported metal nanoclusters12
Analysis of state-dependent fluorescence effects and electronic structure in multivalent manganese oxides12
Interfacial defect properties of high-entropy carbides: Stacking faults, Shockley partial dislocations, and a new Evans-Polanyi-Semenov relation12
Growth and characterization of α -Sn thin films on In- and Sb-rich reconstructions of InSb(001)12
Two new Ce-based triangular lattice antiferromagnets CeZnAl12
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