Physical Review Materials

Article	Citations
Ab initio tight-binding models for mono- and bilayer hexagonal boron nitride ( h -BN)	140
Intermediate temperature structural modulation and properties of CoIn2	91
Influence of solutes on the core structures of 〈a〉 -type sc	85
Tuning of the dimensionality in an S=1/2	80
Free-standing zirconia metasurfaces for microwave resonant polarization conversion	79
Exotic surface magnetotransport phenomena in the antiferromagnetic Mott insulator Ni68
Linear nonsaturating magnetoresistance and superconductivity in epitaxial thin films of YbSb2	60
Erratum: Can the noble metals (Au, Ag, and Cu) be superconductors? [Phys. Rev. Materials 8 , L101801 (2024)]	58
Structure-driven prediction of magnetic order in uranium compounds	52
Insensitivity of nucleation rate to order-disorder interfaces in reversible thermoelastic martensitic transformations	51
Essential role of magnetic frustration in the phase diagrams of doped cobaltites	49
Mechanical regularization	45
Surface termination control of charge transfer and band alignment across a semiconductor–crystalline-oxide heterojunction	44
EXAFS sheds light on short-range ordering in Ge	44
Thermomigration of Au-Ge microdroplets on Ge(111): Atomic mechanisms and effects on surface morphology	42
Magnetic compensation and preferential substitution site for Ag in Mn	42
Direct observation of emergent ice-rule dynamics in a vertex-frustrated dipolar Cyrrhus lattice	41
Avalanche dynamics and the effect of straining in dislocation systems with quenched disorder	41
Formation of the E4* level in implanted	41
Ab initio simulation of segregation at oxide-metal interfaces in GRX-810 alloy	40
Defect-driven switchable polarization in SrTiO	40
Pressure and doping effects on the electronic structure and magnetism of the single-layer nickelate	40
Screening practical nonlinear optical crystals by using graph neural networks	39
Generation and routing of nanoscale droplet solitons without compensation of magnetic damping	39
Erratum: Anomalous band renormalization due to a high-energy kink in K	38

Erratum: Bridging particle deformability and collective response in soft solids [Phys. Rev. Materials 5 , 055605 (2021)]	38
Mg dopants in lithium niobate ( LiNbO3 , LN): Defect models and impact on dom	37
Tailored pseudopotentials for magnesium surface core level shift calculations	37
Performance improvement of deorbitalized exchange-correlation functionals	35
Minimal and versatile description of diffusion and swelling in polymer-solvent systems: Modeling and experimental validation	35
Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures	34
Direct comparison of magnetic penetration depth in kagome superconductors A	34
Unconventional Landau level transitions in Weyl semimetal NbP	33
Tunable magnon topology in monolayer CrI3 under external stimuli	32
Latent space active learning with message passing neural network: The case of HfO2	32
Octahedral distortions in SrNbO3 : Unraveling the structure-property relatio	32
Kinetically controlled composition of III-V ternary nanostructures	32
Origins of background signal effects in all-metallic non-local spin valves	31
Tuning of structure and host dynamics via yttrium doping in Bi2	31
Record-large magnetically driven polarization in room temperature ferromagnets OsX	30
Determination of spin Hall angle in the Weyl ferromagnet Co2MnGa	30
Spintronic terahertz emitter based on epitaxial thin film of kagome ferromagnet	30
Density functional theory study ofNO−H	30
Deep machine learning potential for atomistic simulation of Fe-Si-O systems under Earth's outer core conditions	30
Many-body mechanochemistry: Intramolecular strain in condensed matter chemistry	29
Emergence of cubic ordered full-plane persistent spin textures in lead-free materials	29
Specular inverse Faraday effect in transition metals	28
THz-induced activation of hidden states in rare-earth-doped BiFeO3 solid so	28
Kinetics of orbital ordering in cooperative Jahn-Teller models: Machine-learning enabled large-scale simulations	28
Identification of ferroelectric HfZr	28
Enhanced mobility of ternary InGaAs quantum wells through digital alloying	27
Epitaxial strain-tuned oxygen vacancy formation, reduction behavior, and electronic structure of perovskite SrIr	27
Thermally activated epitaxy of NbO	27
Direct determination of the charge transition level of dopants in oxides by x-ray photoelectron spectroscopy	26
Band gaps of halide perovskites from a Wannier-localized optimally tuned screened range-separated hybrid functional	25
Electronic and optical properties of Janus-like hexagonal monolayer materials of group IV-VI	25
Buffer-layer effect on the ferromagnetism of manganite heterojunctions	25
High-refractive-index materials screening from machine learning and ab initio methods	25
Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates	25
Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111)	25
Highly interpretable machine learning framework for prediction of mechanical properties of nickel based superalloys	25
Overcoming the pulse-width limitation of third-order optical nonlinearity for above bandgap excitation in nanoparticles	25
Correlation effects in two-dimensional MX2	25
Vacancy-mediated transport and segregation tendencies of solutes in fcc nickel under diffusional creep: A density functional theory study	25
Cryogenic growth of aluminum: Structural morphology, optical properties, superconductivity, and microwave dielectric loss	25
Effect of crystallinity on spin-orbit torque in 5 d iridium oxide IrO 24
Optical phonons and magnetoelastic coupling in the ionic conductor AgCrSe2	24
Accurateab initiomodeling of solid solution strengthening in high entropy alloys	24
Fast and accurate prediction of material properties with three-body tight-binding model for the periodic table	23
Theoretical insights into inorganic antiperovskite nitrides ( X3	23
Origin of antiferroelectricity in NaNbO3	23
Layer-dependent Raman spectroscopy of ultrathin Ta2Pd	22
Low contact resistance and electrical transport improvement obtained by surface adsorption strategy in blue phosphorene field-effect transistor	22
Sequences of dislocation reactions and helicity transformations in tubular crystals	22
Machine-learned search for the stable structures of silicene on Ag(111)	22

Spectroscopic method to determine exciton densities, trap interactions, and exciton decay pathways in organic semiconductors	22
Hydroflux-controlled growth of magnetic K-Cu-Te-O(H) phases	22
Electronic structure of nitrogen-doped lutetium hydrides	22
Hybrid functionals for periodic systems in the density functional tight-binding method	22
Interplay of surface transfer doping and Burstein Moss shift in V2<	22
Electron-optical phonon scattering in doped GaAs quantum well	22
Valleytronics and negative differential resistance in cubic boron nitride: A first-principles study	22
Length and torsion dependence of thermal conductivity in twisted graphene nanoribbons	22
Crystal growth and evolution of magnetism in the EuCuP-EuCuAs solid solution	22
Competing polar and antipolar phases in n=2 Ruddlesden-Pop	21
Structure and related properties of amorphous magnesium aluminosilicates	21
Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials	21
Hidden layered structures from carbon-analog metastability in metal dichalcogenides	21
Iterative cluster expansion approach for predicting the structure evolution of mixed Ruddelsden-Popper oxides La	21
Pressure evolution of quantum oscillations and electronic structure in ZrSiS	21
Phase diagram of growth modes in graphene growth on copper by vapor deposition	20
Probing the uniaxial strain-dependent valley drift and Berry curvature in monolayer MoSi2	20
Layer parity independent second order nonlinear optics in	20
Low-intensity illumination induced relaxation and charge transport behavior of single crystal halide perovskites	20
Epitaxial growth and stoichiometry control of pyrochlore Nd2<	20
External screening and lifetime of exciton population in single-layer ReSe2	20
First-principles study of dynamic instability and phase transformation in the WRe and WOs sigma phase	20
Laser-induced demagnetization in van der Waals XY - and Ising-like antiferro	20
Morphology selection in dealloying: A phase field study of the coupling among kinetic mechanisms	20
Influence of an Al2O3	20
Logarithmic versus Andrade's transient creep: Role of elastic stress redistribution	20
Finite-temperature properties of CsPbI3 thin films	20
Physical origin of depolarization effects in HfO2 films	20
Nonmonotonic effect of chemical heterogeneity on interfacial crack growth at high-angle grain boundaries in Fe-Ni-Cr alloys	20
Dynamic length scale and weakest link behavior in crystal plasticity	20
Impact of dynamic Jahn-Teller effect on magnetic excitations, lattice vibration, and thermal conductivity in	20
Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte Li6	20
Hysteresis and energy barriers in soft magnets	19
How does your gyroid grow? A mesoatomic perspective on supramolecular, soft matter network crystals	19
Electronic structure of a nodal line semimetal candidate TbSbTe	19
Physical properties of intergrowth compound Eu2CuZn	19
Impact of oxygen ordering on titanium lattice parameters	19
Carbon-induced magnetic properties and anomalous Hall effect in Co2	19
Regulation mechanisms of electron-delocalized single transition metal-doped Mo2	19
Disentangling photoexcitation and photoluminescence processes in defective MgO	19
Structure prediction of stable sodium germanides at 0 and 10 GPa	19
Theory of polymers in binary solvent solutions: Mean-field free energy and phase behavior	19
Magnetic field-induced tetragonal domain alignment and structural distortion in the spin-orbit-coupled insulator B	19
Evidence of a first-order magnetic transition in HoPtSn	19
Tailoring spin-exchange interactions and topological magnons in 2D ferromagnetic van der Waals	18
Magnetic properties of the quasi-one-dimensional S=1 spin	18
Theoretical exploration of mechanical and superconducting properties of two-dimensional Cairo penta- BP2	18
Multi-mem behavior at reduced voltages in La1/2	18
Potential for exciton condensation in a highly conductive amorphous polymer	18
Isotropic orbital magnetic moments in magnetically anisotropic SrRuO3 films	18
Optimizing the adsorption strength of oxygen intermediates on NiCo<	18
Native defects, hydrogen impurities, and metal dopants in CeO2	17
Liquid-solid and vapor-solid distributions of vapor-liquid-solid III-V ternary nanowires	17
Observation of magnetic field-induced second magnetic ordering and peculiar ferroelectric polarization in L-type ferrimagnetic	17
Strain-induced reconstruction in two-dimensional silver intercalated between graphene and SiC	17
A continuous symmetry breaking measure for finite clusters using Jensen-Shannon divergence	17
Static magnetic and ESR spectroscopic properties of the dimer-chain antiferromagnet BiCoPO	17
Effect of crystal defects in iron on carbon diffusivity: Analytical model married to atomistics	17
Anomalous and parallel Hall effects in ferromagnetic Weyl metal Cr3	17
Driving force induced transition in thermal behavior of grain boundary migration in Ni	17
Density functional theory-informed design of radiation-resistant dilute ternary Cu alloys	17
Revealing the role of hydrogen in reducing optical absorption and mechanical loss in magnetron-sputtered amorphous silicon for gravitational-wave detectors	17
Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning	17
Probing the interface and individual layers in cuprate/manganite heterostructures by Raman spectroscopy	17
Database mining and first-principles assessment of organic proton-transfer ferroelectrics	17
First-principles investigation of elastic, vibrational, and thermodynamic properties of kagome metals CsM	17
Electric field induced phototransport in dye-doped semiconducting polymer	16
Molecular dynamics study of hydrogen Cottrell atmosphere in aluminum: Influence of solute-solute interactions in the dislocation core	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
Low temperature oxidation of amorphous silicon nanoparticles	16
Effect of Ti-doping on the dimer transition in Lithium Ruthenate	16
Studies of two-dimensional material resistive random-access memory by kinetic Monte Carlo simulations	16
Shear-band cavitation determines the shape of the stress-strain curve of metallic glasses	16
Electrical detection of domain evolution in magnetic Weyl semimetal Co3	16
Carbonization-driven motion of Si islands on epitaxial graphene	16
Influence of Cu and Ge chemical doping on the metastability and charge density wave state of β−	16
Thermoelectric transport properties of the quasi-one-dimensional dimer-Mott insulator β′	16
Gapless dynamic magnetic ground state in the charge-gapped trimer iridate Ba4	16
Spin-reorientation-driven temperature-dependent intrinsic anomalous Hall conductivity observed in Fe3	16
Ab initio tensile tests applied to bcc refractory alloys	16

Single-crystal growth and magnetic properties of quasi-one-dimensional Ce3	16
Effects of isovalent substitution on the structure and properties of Fe0.25	16
Universal framework to determine solid solution strengthening from dilute to concentrated alloys	16
Density-functional theory and triply-periodic minimal surfaces	16
Superconductivity in thin films of RuN	15
Anharmonic thermo-elasticity of tungsten from accelerated Bayesian adaptive biasing force calculations with data-driven force fields	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
High-pressure synthesis of an arsenopyrite-type polymorph of	15
Electron-phonon coupling and thermal conductivity of MAB compounds	15
Electronic structure of antiferromagnetic Dirac semimetal candidate GdIn3	15
Single-crystalline PbTe film growth through reorientation	15
Correlated anharmonicity and dynamic disorder control carrier transport in halide perovskites	15
Synthesis and physical properties of a new layered ferromagnet Cr1.21	15
Structural and magnetic phase transitions in Fe3Ge	15
Ballistic spin-transport properties of magnetic tunnel junctions with MnCr-based ferrimagnetic quaternary Heusler alloys	15
Predicting magnetic properties of van der Waals magnets using graph neural networks	15
Ab initio construction of full phase diagram of MgO-CaO eutectic system using neural network interatomic potentials	15
Origin of negative anisotropic magnetoresistance effect in Fe0.75	15
Evolution of charge density waves from three-dimensional to quasi-two-dimensional in kagome superconductors Cs	15
Prediction of strong topological insulator phase in kagome metal R	15
Potential high-performance magnet materials: Co- and Al-alloyed Sm2	15
Analysis of real-space transport channels for electrons and holes in halide perovskites	15
Memory effect in photochromic rare-earth oxyhydride thin films studied by in situ positron annihilation spectroscopy upon photodarkening-bleaching cycling	14
Long-range magnetic ordering of FePc molecules driven by interfacial coupling with antiferromagnetic	14
Deformation and slip systems of CaCl2 -type 14
Solid carbon dioxide under multimegabar pressures: Isentropic magnetic compression and ab initio study of equations of state	14
Colossal dielectric response of H	14
Using optical spectroscopy to probe the impact of atomic disorder on the Heusler alloy C	14
Scattering mechanisms in state-of-the-art GaAs/AlGaAs quantum wells	14
Structural transition at the subsurface of few-layer Bi(110) film during the growth	14
Nanostructure and phase engineering of manganese oxide thin films grown by pulsed laser deposition: A Raman and XRD study	14
Role of material-dependent properties in THz field-derivative-torque-induced nonlinear magnetization dynamics	14
Structure transition and zigzag magnetic order in Ir/Rh-substituted honeycomb lattice α−	14
Towards identifying the PL6 center in SiC: From first-principles screening to hyperfine validation of competing defect candidates	14
Mixed excitonic nature in water-oxidized BiVO4 surfaces with defects	14
Searching for low thermal conductivity materials for thermal barrier coatings: A theoretical approach	14
Nonequilibrium molecular dynamics of ion conduction with equivariant neural network models	14
Quantum criticality linked to the suppressed superconducting upper critical field in Ni-doped CeCoIn5	14
Tuning the magnetic anisotropy in artificially layered Mn3GaN	14
Charge carrier coupling to the soft phonon mode in a ferroelectric semiconductor	14
Erratum: Modeling the high-pressure solid and liquid phases of tin from deep potentials with ab initio accuracy [Phys. Rev. Materials 7, 053603 (2023)]	14
Lattice quantum geometry controlling 118 K multigap superconductivity in heavily overdoped CuB	14
Electron-magnon scattering in an anisotropic half-metallic ferromagnetic Weyl semimetal Co	14
Unconventional superconducting pairing in a B20 multifold Weyl fermion semimetal	14
Onset of vacancy-mediated high activation energy leads to large ionic conductivity in two-dimensional layered Cs	14
Spectroscopic investigations of multiple environments in Er: CaWO4 through c	14
Atmospheric water and graphite lubrication: Insights into surface intercalation and nanoscale confined spaces	14
Hydrogen-impurity-induced unconventional magnetism in semiconducting molybdenum ditelluride	14
Interplay of S =	14
Theoretical models of double twinning in magnesium	14
Interplay of hydrogen boride sheets with water: An insight into edge stability	14
Crystal growth, transport, and magnetic properties of quasi-one-dimensional L	14
Magnetic anisotropy in single-crystalline antiferromagnetic Mn2Au	14
Giant anisotropic magnetoresistance at low magnetic fields in a layered semiconductor	14
Possible Wigner states in CrI3 heterostructures with graphene: A tight-bind	14
Tilt-driven antiferroelectricity in PbZrO3	14
THz and sub-THz antiferromagnetic magnons via magnetoacoustic resonances excited by picosecond strain pulses in NiO	14
Current-induced magnetization switching in a magnetic topological insulator heterostructure	14
Phonon-mediated superconductivity near the lattice instability in hole-doped hydrogenated monolayer hexagonal boron nitride	14
Machine learning assisted modeling of amorphous TiO	13
Modeling of silver transport in cubic SiC: Integrating molecular dynamics, bounds averaging, and uncertainty quantification	13
Tuning charge density wave order and superconductivity in the kagome metals KV3	13
Influence of point defects on thermal conductivity in	13
Anomalous bending and transmission at the Bragg condition by crystal stacking fault	13
Machine learning for metallurgy V: A neural-network potential for zirconium	13
From valence fluctuations to long-range magnetic order in EuPd2	13
Strain-tuned magnetoelectric properties of monolayer NiX<	13
Fermiology and transport properties of the candidate topological crystalline insulator SrAg	13
Formation of NixFe3	13
Resistance minimum in LaAlO3/	13
Metastable phase of UTe2 formed under high pressure above 5 GPa	13
Quantum anomalous Hall effect of Mo-doped LiMgAs monolayer with high transmittance	13
Robust altermagnetism and compensated ferrimagnetism in MnPX3 -based (	13
Zeeman spectroscopy of vacancy-charge-compensated	13
Two new Ce-based triangular lattice antiferromagnets CeZnAl	13
Mechanical-force-driven charge redistribution for hydrogen release at ambient conditions in transition-metal-intercalated bilayer graphene	13
Lattice dynamics study of electron-correlation-induced charge density wave in antiferromagnetic kagome metal FeGe	13
Strain-tunable magnetic and magnonic states in Ni-dihalide monolayers	13
Charge-to-spin conversion in the quasi-two-dimensional electron gas emerging at the hydrogen-doped interface betweenLiNbO	13
Rashba and Zeeman splitting in non-magnetic and non-centrosymmetric MXene Ta2	13
Erratum: Prediction of strong topological insulator phase in kagome metal R	13
Mechanical behavior of reactive Al/Ni multilayers by molecular dynamics simulations	13
Switching of charge-density wave by carrier tuning in monolayer TiTe2	13
Band structure of Bi surfaces formed on Bi2Se	13
Thermal stability of nanoscale ferroelectric domains by molecular dynamics modeling	13
Bidisperse ring polymers: Topological glass to stacking	13
Intersecting multiaxial domain walls in plastic ferroelectric crystal films	13
Competition between phonon-vacancy and four-phonon scattering in cubic boron arsenide by machine learning interatomic potential	13
Ferroelectric order with a linear high-field magnetoelectric coupling in Na2<	13
Tunable magnetic transition and electronic structure in monolayer iron trihalides	13
Interfacial defect properties of high-entropy carbides: Stacking faults, Shockley partial dislocations, and a new Evans-Polanyi-Semenov relation	13
Thermal and mechanical influences on shear band formation and suppression in shocked 1,3,5-trinitroperhydro-1,3,5-triazine (RDX)	13
Observing structural distortions in a LaMnO3 bilayer heterostructure on var	13
Theory of slidetronics in ferroelectric van der Waals layers	13