Physical Review Materials

Article	Citations
Insensitivity of nucleation rate to order-disorder interfaces in reversible thermoelastic martensitic transformations	108
Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111)	106
Kinetics of orbital ordering in cooperative Jahn-Teller models: Machine-learning enabled large-scale simulations	96
Near-field thermal radiation of germanium selenide single layer	75
Avalanche dynamics and the effect of straining in dislocation systems with quenched disorder	74
Structure-driven prediction of magnetic order in uranium compounds	70
Density functional theory study ofNO−H	67
Tailored pseudopotentials for magnesium surface core level shift calculations	66
Highly interpretable machine learning framework for prediction of mechanical properties of nickel based superalloys	62
Record-large magnetically driven polarization in room temperature ferromagnets OsX	58
Deformation-induced medium-range order changes in bulk metallic glasses	56
Latent space active learning with message passing neural network: The case of HfO2	55
ScOx rich surface terminations on lanthanide scandate nanoparticles	49
Vacancy-mediated transport and segregation tendencies of solutes in fcc nickel under diffusional creep: A density functional theory study	48
THz-induced activation of hidden states in rare-earth-doped BiFeO3 solid so	47
Exotic surface magnetotransport phenomena in the antiferromagnetic Mott insulator Ni45
Generation and routing of nanoscale droplet solitons without compensation of magnetic damping	45
Erratum: Anomalous band renormalization due to a high-energy kink in K	44
Erratum: Bridging particle deformability and collective response in soft solids [Phys. Rev. Materials 5 , 055605 (2021)]	43
Tuning of structure and host dynamics via yttrium doping in Bi2	41
Magnetic phase transition induced ferroelectric polarization in BaFeF4 with	40
Minimal and versatile description of diffusion and swelling in polymer-solvent systems: Modeling and experimental validation	40
Many-body mechanochemistry: Intramolecular strain in condensed matter chemistry	39
Field-dependent nonelectronic contributions to thermal conductivity in a metallic ferromagnet with low Gilbert damping	37
Origins of background signal effects in all-metallic non-local spin valves	36

Correlation effects in two-dimensional MX2	36
Unconventional Landau level transitions in Weyl semimetal NbP	35
Hybrid nodal-ring phonons with hourglass dispersion in AgAlO2	34
Determination of spin Hall angle in the Weyl ferromagnet Co2MnGa	34
NbReSi: A noncentrosymetric superconductor with large upper critical field	34
Kinetically controlled composition of III-V ternary nanostructures	33
Enhanced mobility of ternary InGaAs quantum wells through digital alloying	33
Band gaps of halide perovskites from a Wannier-localized optimally tuned screened range-separated hybrid functional	33
Essential role of magnetic frustration in the phase diagrams of doped cobaltites	33
Octahedral distortions in SrNbO3 : Unraveling the structure-property relatio	33
Mechanical regularization	33
Tunable magnon topology in monolayer CrI3 under external stimuli	32
Specular inverse Faraday effect in transition metals	30
Molecular dynamics of the early stages of high-temperature corrosion	29
Surface termination control of charge transfer and band alignment across a semiconductor–crystalline-oxide heterojunction	29
Ab initio tight-binding models for mono- and bilayer hexagonal boron nitride ( h -BN)	29
Intertwined magnetization and exchange bias reversals across compensation temperature in YbCr	29
Overcoming the pulse-width limitation of third-order optical nonlinearity for above bandgap excitation in nanoparticles	29
Buffer-layer effect on the ferromagnetism of manganite heterojunctions	29
Intermediate temperature structural modulation and properties of CoIn2	29
Linear nonsaturating magnetoresistance and superconductivity in epitaxial thin films of YbSb2	28
Ordered and disordered phases in CaCu5 -type derived structures: Dumbbell cl	28
Influence of solutes on the core structures of 〈a〉 -type sc	28
Erratum: Can the noble metals (Au, Ag, and Cu) be superconductors? [Phys. Rev. Materials 8 , L101801 (2024)]	28
Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures	28
EXAFS sheds light on short-range ordering in Ge	27
Free-standing zirconia metasurfaces for microwave resonant polarization conversion	27
Tuning of the dimensionality in an S=1/2	27
Magnetic compensation and preferential substitution site for Ag in Mn	27
Direct comparison of magnetic penetration depth in kagome superconductors A	26
Mg dopants in lithium niobate ( LiNbO3 , LN): Defect models and impact on dom	26
Direct determination of the charge transition level of dopants in oxides by x-ray photoelectron spectroscopy	25
Epitaxial strain-tuned oxygen vacancy formation, reduction behavior, and electronic structure of perovskite SrIr	25
Deep machine learning potential for atomistic simulation of Fe-Si-O systems under Earth's outer core conditions	25
High-refractive-index materials screening from machine learning and ab initio methods	24
Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte Li6	24
Emergence of cubic ordered full-plane persistent spin textures in lead-free materials	24
Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates	24
Electronic and optical properties of Janus-like hexagonal monolayer materials of group IV-VI	24
Optimizing the adsorption strength of oxygen intermediates on NiCo<	24
Erratum: Energy scales in 4f1 delafos	23
Layer-dependent Raman spectroscopy of ultrathin Ta2Pd	23
Strain-engineering of magnetic anisotropy in Cox	23
Theoretical exploration of mechanical and superconducting properties of two-dimensional Cairo penta- BP2	23
Changes in the crystallization sequence upon sulfur addition in the Zr52.5	23
Competing polar and antipolar phases in n=2 Ruddlesden-Pop	23
Static magnetic and ESR spectroscopic properties of the dimer-chain antiferromagnet BiCoPO	23
Physical properties of Ce3+x	22
Analysis of atomic structure, magnetic ordering, and oxygen diffusion in oxygen deficient Sr	22
Magnetic proximity effects in topological insulator heterostructures: Implementation and characterization	22

Machine-learned search for the stable structures of silicene on Ag(111)	22
Isotropic orbital magnetic moments in magnetically anisotropic SrRuO3 films	22
Multi-mem behavior at reduced voltages in La1/2	22
Infrared dielectric functions and Brillouin zone center phonons of α−Ga	22
Electronic structure of nitrogen-doped lutetium hydrides	22
Liquid-solid and vapor-solid distributions of vapor-liquid-solid III-V ternary nanowires	22
Kinetic fragility directly correlates with the many-body static amorphous order in glass-forming liquids	22
Density functional simulations of decomposition pathways of Ge-rich GeSbTe alloys for phase change memories	22
Logarithmic versus Andrade's transient creep: Role of elastic stress redistribution	22
Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials	22
Observation of magnetic field-induced second magnetic ordering and peculiar ferroelectric polarization in L-type ferrimagnetic	22
Hybrid functionals for periodic systems in the density functional tight-binding method	21
Nonmonotonic effect of chemical heterogeneity on interfacial crack growth at high-angle grain boundaries in Fe-Ni-Cr alloys	21
How does your gyroid grow? A mesoatomic perspective on supramolecular, soft matter network crystals	21
Database mining and first-principles assessment of organic proton-transfer ferroelectrics	21
Origin of antiferroelectricity in NaNbO3	21
Electron-optical phonon scattering in doped GaAs quantum well	21
Interplay of surface transfer doping and Burstein Moss shift in V2<	21
Probing the uniaxial strain-dependent valley drift and Berry curvature in monolayer MoSi2	20
Impact of oxygen ordering on titanium lattice parameters	20
Structure and related properties of amorphous magnesium aluminosilicates	20
Theory of polymers in binary solvent solutions: Mean-field free energy and phase behavior	20
Magnetism in metastable and annealed compositionally complex alloys	20
Morphology selection in dealloying: A phase field study of the coupling among kinetic mechanisms	20
Novel polymorphs and polytypes of lithium chloride from structure predictions based on charge equilibration via neural network technique	20
Valleytronics and negative differential resistance in cubic boron nitride: A first-principles study	20
Iterative cluster expansion approach for predicting the structure evolution of mixed Ruddelsden-Popper oxides La	20
Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning	20
Evidence of a first-order magnetic transition in HoPtSn	20
Hysteresis and energy barriers in soft magnets	19
Sequences of dislocation reactions and helicity transformations in tubular crystals	19
Accurateab initiomodeling of solid solution strengthening in high entropy alloys	19
Carbon-induced magnetic properties and anomalous Hall effect in Co2	19
First-principles study of magnetic states and the anomalous Hall conductivity of MNb	19
Magnetization and antiferromagnetic coupling of the interface between a 20 nm Y	19
Anomalous and parallel Hall effects in ferromagnetic Weyl metal Cr3	19
Crystal growth and evolution of magnetism in the EuCuP-EuCuAs solid solution	19
Low-intensity illumination induced relaxation and charge transport behavior of single crystal halide perovskites	19
Finite-temperature properties of CsPbI3 thin films	19
Challenges to magnetic doping of thin films of the Dirac semimetal Cd3	19
Diluting a triangular-lattice spin liquid: Synthesis and characterization of NaYb1	19
Hydroflux-controlled growth of magnetic K-Cu-Te-O(H) phases	19
Magnetic properties of the quasi-one-dimensional S=1 spin	19
Length and torsion dependence of thermal conductivity in twisted graphene nanoribbons	19
Epitaxial growth and stoichiometry control of pyrochlore Nd2<	19
First-principles investigation of elastic, vibrational, and thermodynamic properties of kagome metals CsM	19
Potential for exciton condensation in a highly conductive amorphous polymer	19
Phase diagram of growth modes in graphene growth on copper by vapor deposition	18
Impact of dynamic Jahn-Teller effect on magnetic excitations, lattice vibration, and thermal conductivity in	18
Optical phonons and magnetoelastic coupling in the ionic conductor AgCrSe2	18
Magnetocaloric effect in the Laves-phaseHo1−	18
Physical properties of intergrowth compound Eu2CuZn	18
Disentangling photoexcitation and photoluminescence processes in defective MgO	18
Effect of crystallinity on spin-orbit torque in 5 d iridium oxide IrO 18
Fast and accurate prediction of material properties with three-body tight-binding model for the periodic table	18
Electronic structure of a nodal line semimetal candidate TbSbTe	18
First-principles study of dynamic instability and phase transformation in the WRe and WOs sigma phase	18
Dynamic length scale and weakest link behavior in crystal plasticity	18
Laser-induced demagnetization in van der Waals XY - and Ising-like antiferro	17
Probing the interface and individual layers in cuprate/manganite heterostructures by Raman spectroscopy	17
External screening and lifetime of exciton population in single-layer ReSe2	17
Regulation mechanisms of electron-delocalized single transition metal-doped Mo2	17
Low contact resistance and electrical transport improvement obtained by surface adsorption strategy in blue phosphorene field-effect transistor	17
Inelastic neutron spectra of polyacrylonitrile-based carbon fibers	17
Structure prediction of stable sodium germanides at 0 and 10 GPa	17
Theoretical insights into inorganic antiperovskite nitrides ( X3	17
Magnetic field-induced tetragonal domain alignment and structural distortion in the spin-orbit-coupled insulator B	17
Energy landscape in silver-bismuth-iodide rudorffites: Combining scanning tunneling spectroscopy and Kelvin probe force microscopy	17
Driving force induced transition in thermal behavior of grain boundary migration in Ni	17
Ab initio tensile tests applied to bcc refractory alloys	16
Carbonization-driven motion of Si islands on epitaxial graphene	16
THz and sub-THz antiferromagnetic magnons via magnetoacoustic resonances excited by picosecond strain pulses in NiO	16
Tuning the electronic structure of the trichloride honeycomb lattice by transition metal substitution	16
Singular angular magnetoresistance and sharp resonant features in a high-mobility metal with open orbits, ReO	16
Quantum criticality linked to the suppressed superconducting upper critical field in Ni-doped CeCoIn5	16
Possible Wigner states in CrI3 heterostructures with graphene: A tight-bind	16
Studies of two-dimensional material resistive random-access memory by kinetic Monte Carlo simulations	16
Electron-phonon coupling and thermal conductivity of MAB compounds	16
Single-crystalline PbTe film growth through reorientation	16
Electric field induced phototransport in dye-doped semiconducting polymer	16

Effect of crystal defects in iron on carbon diffusivity: Analytical model married to atomistics	16
Doubling the mobility of InAs/InGaAs selective area grown nanowires	16
Direct evidence of induced magnetic moment in Se and the role of misplaced Mn in MnBi2	16
Structural and magnetic phase transitions in Fe3Ge	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	16
Emergence of ferromagnetism through the metal-insulator transition in undoped indium tin oxide films	16
Current-induced magnetization switching in a magnetic topological insulator heterostructure	16
Quantum spin fluctuations and hydrogen bond network in the antiferromagnetic natural mineral henmilite	16
Molecular dynamics study of hydrogen Cottrell atmosphere in aluminum: Influence of solute-solute interactions in the dislocation core	16
Shear-band cavitation determines the shape of the stress-strain curve of metallic glasses	16
Structure transition and zigzag magnetic order in Ir/Rh-substituted honeycomb lattice α−	16
Ab initio construction of full phase diagram of MgO-CaO eutectic system using neural network interatomic potentials	16
Geometrical control of disorder-induced magnetic domains in planar synthetic antiferromagnets	16
Scattering mechanisms in state-of-the-art GaAs/AlGaAs quantum wells	16
Electrical detection of domain evolution in magnetic Weyl semimetal Co3	15
Nanostructure and phase engineering of manganese oxide thin films grown by pulsed laser deposition: A Raman and XRD study	15
Theoretical models of double twinning in magnesium	15
Electron-magnon scattering in an anisotropic half-metallic ferromagnetic Weyl semimetal Co	15
Onset of vacancy-mediated high activation energy leads to large ionic conductivity in two-dimensional layered Cs	15
Prediction of strong topological insulator phase in kagome metal R	15
Interplay of hydrogen boride sheets with water: An insight into edge stability	15
Charge carrier coupling to the soft phonon mode in a ferroelectric semiconductor	15
High thermal conductivity and thermal boundary conductance of homoepitaxially grown gallium nitride (GaN) thin films	15
Common defects in diamond lattices as instances of the general T ⊗ 15
Unconventional superconducting pairing in a B20 multifold Weyl fermion semimetal	15
High-pressure Na3(	15
Electronic structure of antiferromagnetic Dirac semimetal candidate GdIn3	15
Potential high-performance magnet materials: Co- and Al-alloyed Sm2	15
Ballistic spin-transport properties of magnetic tunnel junctions with MnCr-based ferrimagnetic quaternary Heusler alloys	15
Silver hollandite ( AgxMn8	15
Deformation and slip systems of CaCl2 -type 15
Tilt-driven antiferroelectricity in PbZrO3	15
Thermoelectric transport properties of the quasi-one-dimensional dimer-Mott insulator β′	15
Origin of negative anisotropic magnetoresistance effect in Fe0.75	15
Mixed excitonic nature in water-oxidized BiVO4 surfaces with defects	15
Anharmonic thermo-elasticity of tungsten from accelerated Bayesian adaptive biasing force calculations with data-driven force fields	14
Crystal growth, transport, and magnetic properties of quasi-one-dimensional L	14
Ab initio prediction of an order-disorder transition in Mg2Ge	14
Interplay of itinerant magnetism and spin-glass behavior inFex	14
Two-dimensional superconductivity in a bulk superlattice van der Waals material Ba6	14
Single-crystal growth and magnetic properties of quasi-one-dimensional Ce3	14
Superconductivity in thin films of RuN	14
Low temperature oxidation of amorphous silicon nanoparticles	14
Effects of isovalent substitution on the structure and properties of Fe0.25	14
Correlated anharmonicity and dynamic disorder control carrier transport in halide perovskites	14
Predicting magnetic properties of van der Waals magnets using graph neural networks	14
Memory effect in photochromic rare-earth oxyhydride thin films studied by in situ positron annihilation spectroscopy upon photodarkening-bleaching cycling	14
Role of material-dependent properties in THz field-derivative-torque-induced nonlinear magnetization dynamics	14
Synthesis and physical properties of a new layered ferromagnet Cr1.21	14
Spin-reorientation-driven temperature-dependent intrinsic anomalous Hall conductivity observed in Fe3	14
Phonon-mediated superconductivity near the lattice instability in hole-doped hydrogenated monolayer hexagonal boron nitride	14
Hydrogen-impurity-induced unconventional magnetism in semiconducting molybdenum ditelluride	14
Evolution of charge density waves from three-dimensional to quasi-two-dimensional in kagome superconductors Cs	14
Imaging coherent phonons and precursor dynamics in LaFeAsO with 4D ultrafast electron microscopy	14
Gapless dynamic magnetic ground state in the charge-gapped trimer iridate Ba4	14
Tuning the magnetic anisotropy in artificially layered Mn3GaN	14
Speed of sound and elastic properties of single crystals of inorganic and hybrid lead-free iodide perovskites obtained by femtosecond transient optical reflectivity	14
Transport spin polarization of noncollinear antiferromagnetic antiperovskites	14
Atomistic modeling of Li- and post-Li-ion batteries	14
Searching for low thermal conductivity materials for thermal barrier coatings: A theoretical approach	14
High-entropy silicide superconductors with W5<	13
Design of low mass density γ/γ′<	13
Giant anisotropic magnetoresistance at low magnetic fields in a layered semiconductor	13
Investigation of weak antilocalization and π -Berry phase by quantum oscillation in ferromagnetic Weyl semimetals	13
Influence of Cu and Ge chemical doping on the metastability and charge density wave state of β−	13
Density-functional theory and triply-periodic minimal surfaces	13
Navigating the Ti-C-O and Al-C-O ternary systems through theory-driven discovery	13
Low-energy irradiation induced giant quasilinear superelasticity over wide temperature range in NiTi shape memory alloys	13
Erratum: Prediction of strong topological insulator phase in kagome metal R	13
Peripheral chiral spin textures and topological Hall effect in CoSi nanomagnets	13
Generalized universal equation of states for magnetic materials: A novel formulation for an interatomic potential in Fe	13
Universal framework to determine solid solution strengthening from dilute to concentrated alloys	13
Spectroscopic investigations of multiple environments in Er: CaWO4 through c	13
Random forest prediction of crystal structure from electron diffraction patterns incorporating multiple scattering	13
Heterointerface effects of lithium intercalation and diffusion in van der Waals heterostructures	13
Controlling dual Mott states by hydrogen doping to perovskite rare-earth nickelates	13
Multiferroic ScLaX2 (	13
Local field inhomogeneity and ferroelectric switching dynamics in Hf1−	13
Effect of a temperature gradient on the screening properties of ionic fluids	13
Machine learning for metallurgy V: A neural-network potential for zirconium	13
Effect of Ti-doping on the dimer transition in Lithium Ruthenate	13
Probing complex stacking in a layered material via electron-nuclear quadrupolar coupling	13
Ab initio prediction of nontrivial topological band and superconductivity in stable metallic Si allotropes at ambient pressure	13
Structural transition at the subsurface of few-layer Bi(110) film during the growth	13
Growth and characterization of α -Sn thin films on In- and Sb-rich reconstructions of InSb(001)	12
Strain-tunable magnetic and magnonic states in Ni-dihalide monolayers	12
Stability of ferroelectric bubble domains	12
Combining electron-phonon and dynamical mean-field theory calculations of correlated materials: Transport in the correlated metal	12
Fermiology and transport properties of the candidate topological crystalline insulator SrAg	12
Bidisperse ring polymers: Topological glass to stacking	12
Metastable phase of UTe2 formed under high pressure above 5 GPa	12
Tuning charge density wave order and superconductivity in the kagome metals KV3	12
Temperature dependence of the superconducting gap of single-layer FeSe/SrTiO3	12
Magnetic anisotropy in single-crystalline antiferromagnetic Mn2Au	12
Switching of charge-density wave by carrier tuning in monolayer TiTe2	12