Physical Review Materials

Article	Citations
High-refractive-index materials screening from machine learning and ab initio methods	108
Insensitivity of nucleation rate to order-disorder interfaces in reversible thermoelastic martensitic transformations	105
Essential role of magnetic frustration in the phase diagrams of doped cobaltites	87
Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111)	73
Kinetics of orbital ordering in cooperative Jahn-Teller models: Machine-learning enabled large-scale simulations	72
Near-field thermal radiation of germanium selenide single layer	67
Mechanical regularization	66
Effect of a subnanometer thin insulator layer at the Ag/Si(111) interface through the observation of quantum well states	66
Avalanche dynamics and the effect of straining in dislocation systems with quenched disorder	58
Structure-driven prediction of magnetic order in uranium compounds	57
Kinetically controlled composition of III-V ternary nanostructures	56
Ordered and disordered phases in CaCu5 -type derived structures: Dumbbell cl	53
Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures	52
Mg dopants in lithium niobate ( LiNbO3 , LN): Defect models and impact on dom	48
Direct comparison of magnetic penetration depth in kagome superconductors A	47
Density functional theory study ofNO−H	45
Tailored pseudopotentials for magnesium surface core level shift calculations	44
Electronic and optical properties of Janus-like hexagonal monolayer materials of group IV-VI	43
Band gaps of halide perovskites from a Wannier-localized optimally tuned screened range-separated hybrid functional	42
Highly interpretable machine learning framework for prediction of mechanical properties of nickel based superalloys	42
Record-large magnetically driven polarization in room temperature ferromagnets OsX	41
Direct determination of the charge transition level of dopants in oxides by x-ray photoelectron spectroscopy	41
Deformation-induced medium-range order changes in bulk metallic glasses	40
Erratum: Can the noble metals (Au, Ag, and Cu) be superconductors? [Phys. Rev. Materials 8 , L101801 (2024)]	38
Unconventional Landau level transitions in Weyl semimetal NbP	37

Buffer-layer effect on the ferromagnetism of manganite heterojunctions	37
Intermediate temperature structural modulation and properties of CoIn2	35
Tuning of the dimensionality in an S=1/2	35
Emergence of cubic ordered full-plane persistent spin textures in lead-free materials	35
Octahedral distortions in SrNbO3 : Unraveling the structure-property relatio	34
Correlation effects in two-dimensional MX2	33
Latent space active learning with message passing neural network: The case of HfO2	33
EXAFS sheds light on short-range ordering in Ge	33
Magnetic compensation and preferential substitution site for Ag in Mn	33
Tunable magnon topology in monolayer CrI3 under external stimuli	32
Generation and routing of nanoscale droplet solitons without compensation of magnetic damping	32
Overcoming the pulse-width limitation of third-order optical nonlinearity for above bandgap excitation in nanoparticles	31
Erratum: Anomalous band renormalization due to a high-energy kink in K	31
Tuning of structure and host dynamics via yttrium doping in Bi2	31
Erratum: Bridging particle deformability and collective response in soft solids [Phys. Rev. Materials 5 , 055605 (2021)]	31
Minimal and versatile description of diffusion and swelling in polymer-solvent systems: Modeling and experimental validation	29
NbReSi: A noncentrosymetric superconductor with large upper critical field	29
Free-standing zirconia metasurfaces for microwave resonant polarization conversion	29
Hybrid nodal-ring phonons with hourglass dispersion in AgAlO2	29
Intertwined magnetization and exchange bias reversals across compensation temperature in YbCr	29
Linear nonsaturating magnetoresistance and superconductivity in epitaxial thin films of YbSb2	28
Origins of background signal effects in all-metallic non-local spin valves	28
Magnetic phase transition induced ferroelectric polarization in BaFeF4 with	28
Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates	28
Specular inverse Faraday effect in transition metals	27
Determination of spin Hall angle in the Weyl ferromagnet Co2MnGa	27
Surface termination control of charge transfer and band alignment across a semiconductor–crystalline-oxide heterojunction	27
Deep machine learning potential for atomistic simulation of Fe-Si-O systems under Earth's outer core conditions	27
Ab initio tight-binding models for mono- and bilayer hexagonal boron nitride ( h -BN)	27
Influence of solutes on the core structures of 〈a〉 -type sc	27
Many-body mechanochemistry: Intramolecular strain in condensed matter chemistry	27
Epitaxial strain-tuned oxygen vacancy formation, reduction behavior, and electronic structure of perovskite SrIr	27
THz-induced activation of hidden states in rare-earth-doped BiFeO3 solid so	26
Enhanced mobility of ternary InGaAs quantum wells through digital alloying	26
Exotic surface magnetotransport phenomena in the antiferromagnetic Mott insulator Ni26
Screening two-dimensional materials with topological flat bands	25
Field-dependent nonelectronic contributions to thermal conductivity in a metallic ferromagnet with low Gilbert damping	25
Molecular dynamics of the early stages of high-temperature corrosion	25
Low contact resistance and electrical transport improvement obtained by surface adsorption strategy in blue phosphorene field-effect transistor	24
Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte Li6	24
Vacancy-mediated transport and segregation tendencies of solutes in fcc nickel under diffusional creep: A density functional theory study	24
Hysteresis and energy barriers in soft magnets	24
ScOx rich surface terminations on lanthanide scandate nanoparticles	24
Layer-dependent Raman spectroscopy of ultrathin Ta2Pd	23
Analysis of atomic structure, magnetic ordering, and oxygen diffusion in oxygen deficient Sr	23
Optimizing the adsorption strength of oxygen intermediates on NiCo<	23
Competing polar and antipolar phases in n=2 Ruddlesden-Pop	23
Strain-engineering of magnetic anisotropy in Cox	22
Multi-mem behavior at reduced voltages in La1/2	22
First-principles study of dynamic instability and phase transformation in the WRe and WOs sigma phase	22

Erratum: Energy scales in 4f1 delafos	22
Origin of antiferroelectricity in NaNbO3	22
Physical properties of Ce3+x	22
Electronic structure of a nodal line semimetal candidate TbSbTe	22
Changes in the crystallization sequence upon sulfur addition in the Zr52.5	22
Static magnetic and ESR spectroscopic properties of the dimer-chain antiferromagnet BiCoPO	22
Theoretical exploration of mechanical and superconducting properties of two-dimensional Cairo penta- BP2	22
Diluting a triangular-lattice spin liquid: Synthesis and characterization of NaYb1	22
Machine-learned search for the stable structures of silicene on Ag(111)	21
Observation of magnetic field-induced second magnetic ordering and peculiar ferroelectric polarization in L-type ferrimagnetic	21
Density functional simulations of decomposition pathways of Ge-rich GeSbTe alloys for phase change memories	21
Impact of oxygen ordering on titanium lattice parameters	21
Electronic structure of nitrogen-doped lutetium hydrides	21
Theory of polymers in binary solvent solutions: Mean-field free energy and phase behavior	20
Novel polymorphs and polytypes of lithium chloride from structure predictions based on charge equilibration via neural network technique	20
Morphology selection in dealloying: A phase field study of the coupling among kinetic mechanisms	20
Length and torsion dependence of thermal conductivity in twisted graphene nanoribbons	20
Electron-optical phonon scattering in doped GaAs quantum well	20
Valleytronics and negative differential resistance in cubic boron nitride: A first-principles study	20
Evidence of a first-order magnetic transition in HoPtSn	20
Sequences of dislocation reactions and helicity transformations in tubular crystals	20
Low-intensity illumination induced relaxation and charge transport behavior of single crystal halide perovskites	20
Structure and related properties of amorphous magnesium aluminosilicates	20
Database mining and first-principles assessment of organic proton-transfer ferroelectrics	20
Accurateab initiomodeling of solid solution strengthening in high entropy alloys	20
Crystal growth and evolution of magnetism in the EuCuP-EuCuAs solid solution	20
Ferromagnetism in ultrathin surface-free La0.7	19
Structure prediction of stable sodium germanides at 0 and 10 GPa	19
Laser-induced demagnetization in van der Waals XY - and Ising-like antiferro	19
Phase diagram of growth modes in graphene growth on copper by vapor deposition	19
Probing the uniaxial strain-dependent valley drift and Berry curvature in monolayer MoSi2	19
Optical phonons and magnetoelastic coupling in the ionic conductor AgCrSe2	19
Magnetocaloric effect in the Laves-phaseHo1−	19
Driving force induced transition in thermal behavior of grain boundary migration in Ni	19
NbReN: A disordered superconductor in thin film form for potential application as superconducting nanowire single photon detector	19
Liquid-solid and vapor-solid distributions of vapor-liquid-solid III-V ternary nanowires	19
Fast and accurate prediction of material properties with three-body tight-binding model for the periodic table	19
Effect of crystallinity on spin-orbit torque in 5 d iridium oxide IrO 19
Probing the interface and individual layers in cuprate/manganite heterostructures by Raman spectroscopy	19
Hybrid functionals for periodic systems in the density functional tight-binding method	19
Dynamic length scale and weakest link behavior in crystal plasticity	19
Magnetic proximity effects in topological insulator heterostructures: Implementation and characterization	19
External screening and lifetime of exciton population in single-layer ReSe2	18
Infrared dielectric functions and Brillouin zone center phonons of α−Ga	18
Challenges to magnetic doping of thin films of the Dirac semimetal Cd3	18
First-principles investigation of elastic, vibrational, and thermodynamic properties of kagome metals CsM	18
Energy landscape in silver-bismuth-iodide rudorffites: Combining scanning tunneling spectroscopy and Kelvin probe force microscopy	18
Potential for exciton condensation in a highly conductive amorphous polymer	18
Logarithmic versus Andrade's transient creep: Role of elastic stress redistribution	18
Inelastic neutron spectra of polyacrylonitrile-based carbon fibers	18
Regulation mechanisms of electron-delocalized single transition metal-doped Mo2	18
Theoretical insights into inorganic antiperovskite nitrides ( X3	18
Nonmonotonic effect of chemical heterogeneity on interfacial crack growth at high-angle grain boundaries in Fe-Ni-Cr alloys	18
How does your gyroid grow? A mesoatomic perspective on supramolecular, soft matter network crystals	18
Epitaxial growth and stoichiometry control of pyrochlore Nd2<	18
Kinetic fragility directly correlates with the many-body static amorphous order in glass-forming liquids	18
Disentangling photoexcitation and photoluminescence processes in defective MgO	18
First-principles study of magnetic states and the anomalous Hall conductivity of MNb	18
Magnetic properties of the quasi-one-dimensional S=1 spin	18
Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning	17
Isotropic orbital magnetic moments in magnetically anisotropic SrRuO3 films	17
Magnetism in metastable and annealed compositionally complex alloys	17
Balancing orbital effects and on-site Coulomb repulsion through Na modulations in Nax	17
Hydroflux-controlled growth of magnetic K-Cu-Te-O(H) phases	17
Carbon-induced magnetic properties and anomalous Hall effect in Co2	17
Finite-temperature properties of CsPbI3 thin films	17
Magnetization and antiferromagnetic coupling of the interface between a 20 nm Y	17
Hydrogen-impurity-induced unconventional magnetism in semiconducting molybdenum ditelluride	17
Physical properties of intergrowth compound Eu2CuZn	17
Anomalous and parallel Hall effects in ferromagnetic Weyl metal Cr3	17
Microstructure and the boson peak in thermally treated Inx	17
Iterative cluster expansion approach for predicting the structure evolution of mixed Ruddelsden-Popper oxides La	17
Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials	17
Shear-band cavitation determines the shape of the stress-strain curve of metallic glasses	16
Electric field induced phototransport in dye-doped semiconducting polymer	16
THz and sub-THz antiferromagnetic magnons via magnetoacoustic resonances excited by picosecond strain pulses in NiO	16
Emergence of ferromagnetism through the metal-insulator transition in undoped indium tin oxide films	16
Molecular dynamics study of hydrogen Cottrell atmosphere in aluminum: Influence of solute-solute interactions in the dislocation core	16
Effect of crystal defects in iron on carbon diffusivity: Analytical model married to atomistics	16
Carbonization-driven motion of Si islands on epitaxial graphene	16

Anharmonic thermo-elasticity of tungsten from accelerated Bayesian adaptive biasing force calculations with data-driven force fields	16
Single-crystalline PbTe film growth through reorientation	16
Electron-phonon coupling and thermal conductivity of MAB compounds	16
Predicting magnetic properties of van der Waals magnets using graph neural networks	16
Memory effect in photochromic rare-earth oxyhydride thin films studied by in situ positron annihilation spectroscopy upon photodarkening-bleaching cycling	16
Gapless dynamic magnetic ground state in the charge-gapped trimer iridate Ba4	16
Tuning the electronic structure of the trichloride honeycomb lattice by transition metal substitution	16
Quantum spin fluctuations and hydrogen bond network in the antiferromagnetic natural mineral henmilite	16
Current-induced magnetization switching in a magnetic topological insulator heterostructure	16
Ab initio tensile tests applied to bcc refractory alloys	16
Universal framework to determine solid solution strengthening from dilute to concentrated alloys	16
Speed of sound and elastic properties of single crystals of inorganic and hybrid lead-free iodide perovskites obtained by femtosecond transient optical reflectivity	16
Electronic, adsorption, and hydration structures of water-contained Na-montmorillonite and Na-beidellite through the first-principles method combined with the classical solution theory	15
Influence of Cu and Ge chemical doping on the metastability and charge density wave state of β−	15
Possible Wigner states in CrI3 heterostructures with graphene: A tight-bind	15
Density-functional theory and triply-periodic minimal surfaces	15
Doubling the mobility of InAs/InGaAs selective area grown nanowires	15
Effect of Ti-doping on the dimer transition in Lithium Ruthenate	15
Role of material-dependent properties in THz field-derivative-torque-induced nonlinear magnetization dynamics	15
Spectroscopic investigations of multiple environments in Er: CaWO4 through c	15
Direct evidence of induced magnetic moment in Se and the role of misplaced Mn in MnBi2	15
Investigation of weak antilocalization and π -Berry phase by quantum oscillation in ferromagnetic Weyl semimetals	15
Studies of two-dimensional material resistive random-access memory by kinetic Monte Carlo simulations	15
Structural and magnetic phase transitions in Fe3Ge	15
Scattering mechanisms in state-of-the-art GaAs/AlGaAs quantum wells	15
Ab initio construction of full phase diagram of MgO-CaO eutectic system using neural network interatomic potentials	15
Pressure-induced anomalies in the magnetic transitions of the exotic multiferroic material Tb2	15
Two-dimensional superconductivity in a bulk superlattice van der Waals material Ba6	15
Searching for low thermal conductivity materials for thermal barrier coatings: A theoretical approach	15
Geometrical control of disorder-induced magnetic domains in planar synthetic antiferromagnets	15
Crystal growth, transport, and magnetic properties of quasi-one-dimensional L	15
Interplay of itinerant magnetism and spin-glass behavior inFex	14
Thermoelectric transport properties of the quasi-one-dimensional dimer-Mott insulator β′	14
Common defects in diamond lattices as instances of the general T ⊗ 14
Atomistic modeling of Li- and post-Li-ion batteries	14
Correlated anharmonicity and dynamic disorder control carrier transport in halide perovskites	14
Low temperature oxidation of amorphous silicon nanoparticles	14
Potential high-performance magnet materials: Co- and Al-alloyed Sm2	14
Origin of negative anisotropic magnetoresistance effect in Fe0.75	14
Theoretical models of double twinning in magnesium	14
Unconventional superconducting pairing in a B20 multifold Weyl fermion semimetal	14
Nanostructure and phase engineering of manganese oxide thin films grown by pulsed laser deposition: A Raman and XRD study	14
Structure transition and zigzag magnetic order in Ir/Rh-substituted honeycomb lattice α−	14
Tilt-driven antiferroelectricity in PbZrO3	14
Electrical detection of domain evolution in magnetic Weyl semimetal Co3	14
Synthesis and physical properties of a new layered ferromagnet Cr1.21	14
Ballistic spin-transport properties of magnetic tunnel junctions with MnCr-based ferrimagnetic quaternary Heusler alloys	14
Mixed excitonic nature in water-oxidized BiVO4 surfaces with defects	14
Charge carrier coupling to the soft phonon mode in a ferroelectric semiconductor	14
Electron-magnon scattering in an anisotropic half-metallic ferromagnetic Weyl semimetal Co	14
Active terahertz spin state and optical chirality in liquid crystal chiral metasurface	14
Silver hollandite ( AgxMn8	14
Evolution of charge density waves from three-dimensional to quasi-two-dimensional in kagome superconductors Cs	14
Quantum criticality linked to the suppressed superconducting upper critical field in Ni-doped CeCoIn5	14
Interplay of hydrogen boride sheets with water: An insight into edge stability	14
Phonon-mediated superconductivity near the lattice instability in hole-doped hydrogenated monolayer hexagonal boron nitride	14
Imaging coherent phonons and precursor dynamics in LaFeAsO with 4D ultrafast electron microscopy	14
Electronic structure of antiferromagnetic Dirac semimetal candidate GdIn3	14
Onset of vacancy-mediated high activation energy leads to large ionic conductivity in two-dimensional layered Cs	14
Deformation and slip systems of CaCl2 -type 14
Single-crystal growth and magnetic properties of quasi-one-dimensional Ce3	14
Machine learning for metallurgy V: A neural-network potential for zirconium	13
Transport spin polarization of noncollinear antiferromagnetic antiperovskites	13
Singular angular magnetoresistance and sharp resonant features in a high-mobility metal with open orbits, ReO	13
Generalized universal equation of states for magnetic materials: A novel formulation for an interatomic potential in Fe	13
Giant anisotropic magnetoresistance at low magnetic fields in a layered semiconductor	13
Ab initio prediction of nontrivial topological band and superconductivity in stable metallic Si allotropes at ambient pressure	13
Heterointerface effects of lithium intercalation and diffusion in van der Waals heterostructures	13
High-performance thermoelectric properties of strained two-dimensional tellurium	13
Probing complex stacking in a layered material via electron-nuclear quadrupolar coupling	13
REMatch plus SOS: Machine-learning-accelerated structure prediction for supported metal nanoclusters	13
Prediction of strong topological insulator phase in kagome metal R	13
High thermal conductivity and thermal boundary conductance of homoepitaxially grown gallium nitride (GaN) thin films	13
Tuning the magnetic anisotropy in artificially layered Mn3GaN	13
Lattice dynamics study of electron-correlation-induced charge density wave in antiferromagnetic kagome metal FeGe	13
Navigating the Ti-C-O and Al-C-O ternary systems through theory-driven discovery	13
Structural transition at the subsurface of few-layer Bi(110) film during the growth	13
Controlling dual Mott states by hydrogen doping to perovskite rare-earth nickelates	13
High-pressure Na3(	13
Superconductivity in thin films of RuN	13
Ab initio prediction of an order-disorder transition in Mg2Ge	13
Effect of a temperature gradient on the screening properties of ionic fluids	13
Random forest prediction of crystal structure from electron diffraction patterns incorporating multiple scattering	13
Analysis of state-dependent fluorescence effects and electronic structure in multivalent manganese oxides	13
Low-energy irradiation induced giant quasilinear superelasticity over wide temperature range in NiTi shape memory alloys	13
Classifying the age of a glass based on structural properties: A machine learning approach	13
Charge state and entropic effects affecting the formation and dynamics of divacancies in 3C-SiC	12
Incommensurate magnetic ordering and a possible structural transition in EuIn4	12
Band structure of Bi surfaces formed on Bi2Se	12
Mechanical behavior of reactive Al/Ni multilayers by molecular dynamics simulations	12
Using optical spectroscopy to probe the impact of atomic disorder on the Heusler alloy C	12
Magnetic anisotropy in single-crystalline antiferromagnetic Mn2Au	12
Correlated dynamic disorder, octahedral tilts, and acoustic phonon softening in CsSnBr3	12
Erratum: Prediction of strong topological insulator phase in kagome metal R	12
Fermiology and transport properties of the candidate topological crystalline insulator SrAg	12