Physical Review Materials

Article	Citations
Ab initio tight-binding models for mono- and bilayer hexagonal boron nitride ( h -BN)	112
Overcoming the pulse-width limitation of third-order optical nonlinearity for above bandgap excitation in nanoparticles	109
Intermediate temperature structural modulation and properties of CoIn2	108
Influence of solutes on the core structures of 〈a〉 -type sc	81
Free-standing zirconia metasurfaces for microwave resonant polarization conversion	78
Tuning of the dimensionality in an S=1/2	78
Mg dopants in lithium niobate ( LiNbO3 , LN): Defect models and impact on dom	74
Direct comparison of magnetic penetration depth in kagome superconductors A	69
Exotic surface magnetotransport phenomena in the antiferromagnetic Mott insulator Ni66
THz-induced activation of hidden states in rare-earth-doped BiFeO3 solid so	65
Buffer-layer effect on the ferromagnetism of manganite heterojunctions	64
Linear nonsaturating magnetoresistance and superconductivity in epitaxial thin films of YbSb2	62
Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures	61
Erratum: Can the noble metals (Au, Ag, and Cu) be superconductors? [Phys. Rev. Materials 8 , L101801 (2024)]	53
Structure-driven prediction of magnetic order in uranium compounds	52
Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111)	51
Kinetics of orbital ordering in cooperative Jahn-Teller models: Machine-learning enabled large-scale simulations	50
Near-field thermal radiation of germanium selenide single layer	48
Insensitivity of nucleation rate to order-disorder interfaces in reversible thermoelastic martensitic transformations	45
Essential role of magnetic frustration in the phase diagrams of doped cobaltites	43
Mechanical regularization	42
Enhanced mobility of ternary InGaAs quantum wells through digital alloying	42
Kinetically controlled composition of III-V ternary nanostructures	39
Tuning of structure and host dynamics via yttrium doping in Bi2	39
Surface termination control of charge transfer and band alignment across a semiconductor–crystalline-oxide heterojunction	39

Unconventional Landau level transitions in Weyl semimetal NbP	37
Hybrid nodal-ring phonons with hourglass dispersion in AgAlO2	36
Correlation effects in two-dimensional MX2	36
Avalanche dynamics and the effect of straining in dislocation systems with quenched disorder	35
Origins of background signal effects in all-metallic non-local spin valves	34
Determination of spin Hall angle in the Weyl ferromagnet Co2MnGa	34
Emergence of cubic ordered full-plane persistent spin textures in lead-free materials	34
Formation of the E4* level in implanted	33
Magnetic compensation and preferential substitution site for Ag in Mn	33
Ordered and disordered phases in CaCu5 -type derived structures: Dumbbell cl	33
Direct observation of emergent ice-rule dynamics in a vertex-frustrated dipolar Cyrrhus lattice	32
Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates	32
Field-dependent nonelectronic contributions to thermal conductivity in a metallic ferromagnet with low Gilbert damping	32
Ab initio simulation of segregation at oxide-metal interfaces in GRX-810 alloy	31
Vacancy-mediated transport and segregation tendencies of solutes in fcc nickel under diffusional creep: A density functional theory study	31
Deep machine learning potential for atomistic simulation of Fe-Si-O systems under Earth's outer core conditions	30
Minimal and versatile description of diffusion and swelling in polymer-solvent systems: Modeling and experimental validation	30
High-refractive-index materials screening from machine learning and ab initio methods	30
Direct determination of the charge transition level of dopants in oxides by x-ray photoelectron spectroscopy	30
Record-large magnetically driven polarization in room temperature ferromagnets OsX	30
Many-body mechanochemistry: Intramolecular strain in condensed matter chemistry	30
ScOx rich surface terminations on lanthanide scandate nanoparticles	30
Latent space active learning with message passing neural network: The case of HfO2	29
Electronic and optical properties of Janus-like hexagonal monolayer materials of group IV-VI	29
Erratum: Anomalous band renormalization due to a high-energy kink in K	29
Generation and routing of nanoscale droplet solitons without compensation of magnetic damping	29
Erratum: Bridging particle deformability and collective response in soft solids [Phys. Rev. Materials 5 , 055605 (2021)]	28
Density functional theory study ofNO−H	28
Tailored pseudopotentials for magnesium surface core level shift calculations	28
Epitaxial strain-tuned oxygen vacancy formation, reduction behavior, and electronic structure of perovskite SrIr	27
Octahedral distortions in SrNbO3 : Unraveling the structure-property relatio	27
Highly interpretable machine learning framework for prediction of mechanical properties of nickel based superalloys	27
EXAFS sheds light on short-range ordering in Ge	27
Intertwined magnetization and exchange bias reversals across compensation temperature in YbCr	27
NbReSi: A noncentrosymetric superconductor with large upper critical field	27
Molecular dynamics of the early stages of high-temperature corrosion	27
Band gaps of halide perovskites from a Wannier-localized optimally tuned screened range-separated hybrid functional	26
Thermomigration of Au-Ge microdroplets on Ge(111): Atomic mechanisms and effects on surface morphology	26
Tunable magnon topology in monolayer CrI3 under external stimuli	26
Specular inverse Faraday effect in transition metals	26
Deformation-induced medium-range order changes in bulk metallic glasses	25
Magnetic phase transition induced ferroelectric polarization in BaFeF4 with	25
Probing the uniaxial strain-dependent valley drift and Berry curvature in monolayer MoSi2	25
Accurateab initiomodeling of solid solution strengthening in high entropy alloys	25
Optical phonons and magnetoelastic coupling in the ionic conductor AgCrSe2	24
Interplay of surface transfer doping and Burstein Moss shift in V2<	24
Nonmonotonic effect of chemical heterogeneity on interfacial crack growth at high-angle grain boundaries in Fe-Ni-Cr alloys	24
External screening and lifetime of exciton population in single-layer ReSe2	24
Kinetic fragility directly correlates with the many-body static amorphous order in glass-forming liquids	24
Effect of crystallinity on spin-orbit torque in 5 d iridium oxide IrO 24

Impact of oxygen ordering on titanium lattice parameters	23
Electronic structure of nitrogen-doped lutetium hydrides	23
Structure and related properties of amorphous magnesium aluminosilicates	23
Low contact resistance and electrical transport improvement obtained by surface adsorption strategy in blue phosphorene field-effect transistor	23
Morphology selection in dealloying: A phase field study of the coupling among kinetic mechanisms	23
Low-intensity illumination induced relaxation and charge transport behavior of single crystal halide perovskites	23
Database mining and first-principles assessment of organic proton-transfer ferroelectrics	23
Evidence of a first-order magnetic transition in HoPtSn	23
Valleytronics and negative differential resistance in cubic boron nitride: A first-principles study	23
Length and torsion dependence of thermal conductivity in twisted graphene nanoribbons	22
Logarithmic versus Andrade's transient creep: Role of elastic stress redistribution	22
Sequences of dislocation reactions and helicity transformations in tubular crystals	22
Hybrid functionals for periodic systems in the density functional tight-binding method	22
Physical properties of Ce3+x	22
Crystal growth and evolution of magnetism in the EuCuP-EuCuAs solid solution	22
Liquid-solid and vapor-solid distributions of vapor-liquid-solid III-V ternary nanowires	22
Infrared dielectric functions and Brillouin zone center phonons of α−Ga	22
Erratum: Energy scales in 4f1 delafos	21
Multi-mem behavior at reduced voltages in La1/2	21
Strain-engineering of magnetic anisotropy in Cox	21
Static magnetic and ESR spectroscopic properties of the dimer-chain antiferromagnet BiCoPO	21
How does your gyroid grow? A mesoatomic perspective on supramolecular, soft matter network crystals	20
Finite-temperature properties of CsPbI3 thin films	20
First-principles investigation of elastic, vibrational, and thermodynamic properties of kagome metals CsM	20
Theoretical exploration of mechanical and superconducting properties of two-dimensional Cairo penta- BP2	20
Challenges to magnetic doping of thin films of the Dirac semimetal Cd3	20
Hydroflux-controlled growth of magnetic K-Cu-Te-O(H) phases	20
Magnetic field-induced tetragonal domain alignment and structural distortion in the spin-orbit-coupled insulator B	20
Optimizing the adsorption strength of oxygen intermediates on NiCo<	20
Isotropic orbital magnetic moments in magnetically anisotropic SrRuO3 films	20
Layer-dependent Raman spectroscopy of ultrathin Ta2Pd	20
Potential for exciton condensation in a highly conductive amorphous polymer	20
Magnetic properties of the quasi-one-dimensional S=1 spin	20
Competing polar and antipolar phases in n=2 Ruddlesden-Pop	20
Phase diagram of growth modes in graphene growth on copper by vapor deposition	19
Probing the interface and individual layers in cuprate/manganite heterostructures by Raman spectroscopy	19
Influence of an Al2O3	19
Impact of dynamic Jahn-Teller effect on magnetic excitations, lattice vibration, and thermal conductivity in	19
Driving force induced transition in thermal behavior of grain boundary migration in Ni	19
First-principles study of dynamic instability and phase transformation in the WRe and WOs sigma phase	19
Physical origin of depolarization effects in HfO2 films	19
Machine-learned search for the stable structures of silicene on Ag(111)	19
Native defects, hydrogen impurities, and metal dopants in CeO2	19
Inelastic neutron spectra of polyacrylonitrile-based carbon fibers	19
Magnetism in metastable and annealed compositionally complex alloys	19
Analysis of atomic structure, magnetic ordering, and oxygen diffusion in oxygen deficient Sr	19
Anomalous and parallel Hall effects in ferromagnetic Weyl metal Cr3	19
Electron-optical phonon scattering in doped GaAs quantum well	19
Epitaxial growth and stoichiometry control of pyrochlore Nd2<	18
Observation of magnetic field-induced second magnetic ordering and peculiar ferroelectric polarization in L-type ferrimagnetic	18
Dynamic length scale and weakest link behavior in crystal plasticity	18
Theoretical insights into inorganic antiperovskite nitrides ( X3	18
Iterative cluster expansion approach for predicting the structure evolution of mixed Ruddelsden-Popper oxides La	18
Magnetization and antiferromagnetic coupling of the interface between a 20 nm Y	18
Novel polymorphs and polytypes of lithium chloride from structure predictions based on charge equilibration via neural network technique	18
Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials	18
Origin of antiferroelectricity in NaNbO3	18
First-principles study of magnetic states and the anomalous Hall conductivity of MNb	18
Electric field induced phototransport in dye-doped semiconducting polymer	17
Fast and accurate prediction of material properties with three-body tight-binding model for the periodic table	17
Hysteresis and energy barriers in soft magnets	17
Laser-induced demagnetization in van der Waals XY - and Ising-like antiferro	17
Physical properties of intergrowth compound Eu2CuZn	17
Electronic structure of a nodal line semimetal candidate TbSbTe	17
Carbon-induced magnetic properties and anomalous Hall effect in Co2	17
Tuning the electronic structure of the trichloride honeycomb lattice by transition metal substitution	17
THz and sub-THz antiferromagnetic magnons via magnetoacoustic resonances excited by picosecond strain pulses in NiO	17
Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning	17
Diluting a triangular-lattice spin liquid: Synthesis and characterization of NaYb1	17
Revealing the role of hydrogen in reducing optical absorption and mechanical loss in magnetron-sputtered amorphous silicon for gravitational-wave detectors	17
Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte Li6	17
Emergence of ferromagnetism through the metal-insulator transition in undoped indium tin oxide films	17
Carbonization-driven motion of Si islands on epitaxial graphene	17
Shear-band cavitation determines the shape of the stress-strain curve of metallic glasses	17
Regulation mechanisms of electron-delocalized single transition metal-doped Mo2	17
Theory of polymers in binary solvent solutions: Mean-field free energy and phase behavior	17
Structure prediction of stable sodium germanides at 0 and 10 GPa	17
Disentangling photoexcitation and photoluminescence processes in defective MgO	17
Effect of crystal defects in iron on carbon diffusivity: Analytical model married to atomistics	17
Ab initio tensile tests applied to bcc refractory alloys	16

Ballistic spin-transport properties of magnetic tunnel junctions with MnCr-based ferrimagnetic quaternary Heusler alloys	16
Predicting magnetic properties of van der Waals magnets using graph neural networks	16
Synthesis and physical properties of a new layered ferromagnet Cr1.21	16
Effects of isovalent substitution on the structure and properties of Fe0.25	16
Potential high-performance magnet materials: Co- and Al-alloyed Sm2	16
Charge carrier coupling to the soft phonon mode in a ferroelectric semiconductor	16
Electron-phonon coupling and thermal conductivity of MAB compounds	16
Current-induced magnetization switching in a magnetic topological insulator heterostructure	16
Low temperature oxidation of amorphous silicon nanoparticles	16
Single-crystal growth and magnetic properties of quasi-one-dimensional Ce3	16
Spin-reorientation-driven temperature-dependent intrinsic anomalous Hall conductivity observed in Fe3	16
Electrical detection of domain evolution in magnetic Weyl semimetal Co3	16
Origin of negative anisotropic magnetoresistance effect in Fe0.75	16
Studies of two-dimensional material resistive random-access memory by kinetic Monte Carlo simulations	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
Hydrogen-impurity-induced unconventional magnetism in semiconducting molybdenum ditelluride	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
Mixed excitonic nature in water-oxidized BiVO4 surfaces with defects	16
Molecular dynamics study of hydrogen Cottrell atmosphere in aluminum: Influence of solute-solute interactions in the dislocation core	16
Influence of Cu and Ge chemical doping on the metastability and charge density wave state of β−	15
Effect of Ti-doping on the dimer transition in Lithium Ruthenate	15
Scattering mechanisms in state-of-the-art GaAs/AlGaAs quantum wells	15
Crystal growth, transport, and magnetic properties of quasi-one-dimensional L	15
Imaging coherent phonons and precursor dynamics in LaFeAsO with 4D ultrafast electron microscopy	15
Investigation of weak antilocalization and π -Berry phase by quantum oscillation in ferromagnetic Weyl semimetals	15
Thermoelectric transport properties of the quasi-one-dimensional dimer-Mott insulator β′	15
Spectroscopic investigations of multiple environments in Er: CaWO4 through c	15
Anharmonic thermo-elasticity of tungsten from accelerated Bayesian adaptive biasing force calculations with data-driven force fields	15
Structural and magnetic phase transitions in Fe3Ge	15
Searching for low thermal conductivity materials for thermal barrier coatings: A theoretical approach	15
Atomistic modeling of Li- and post-Li-ion batteries	15
Two-dimensional superconductivity in a bulk superlattice van der Waals material Ba6	15
Superconductivity in thin films of RuN	15
Ab initio construction of full phase diagram of MgO-CaO eutectic system using neural network interatomic potentials	15
Possible Wigner states in CrI3 heterostructures with graphene: A tight-bind	15
Universal framework to determine solid solution strengthening from dilute to concentrated alloys	15
Role of material-dependent properties in THz field-derivative-torque-induced nonlinear magnetization dynamics	15
Tilt-driven antiferroelectricity in PbZrO3	15
Tuning the magnetic anisotropy in artificially layered Mn3GaN	15
High-pressure Na3(	15
Electronic structure of antiferromagnetic Dirac semimetal candidate GdIn3	15
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
Prediction of strong topological insulator phase in kagome metal R	14
Interplay of hydrogen boride sheets with water: An insight into edge stability	14
Electronic, adsorption, and hydration structures of water-contained Na-montmorillonite and Na-beidellite through the first-principles method combined with the classical solution theory	14
Direct evidence of induced magnetic moment in Se and the role of misplaced Mn in MnBi2	14
Theoretical models of double twinning in magnesium	14
Doubling the mobility of InAs/InGaAs selective area grown nanowires	14
Long-range magnetic ordering of FePc molecules driven by interfacial coupling with antiferromagnetic	14
Nonequilibrium molecular dynamics of ion conduction with equivariant neural network models	14
Evolution of charge density waves from three-dimensional to quasi-two-dimensional in kagome superconductors Cs	14
Structure transition and zigzag magnetic order in Ir/Rh-substituted honeycomb lattice α−	14
Lattice quantum geometry controlling 118 K multigap superconductivity in heavily overdoped CuB	14
Geometrical control of disorder-induced magnetic domains in planar synthetic antiferromagnets	14
Quantum criticality linked to the suppressed superconducting upper critical field in Ni-doped CeCoIn5	14
Interplay of itinerant magnetism and spin-glass behavior inFex	14
Correlated anharmonicity and dynamic disorder control carrier transport in halide perovskites	14
Transport spin polarization of noncollinear antiferromagnetic antiperovskites	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
Analysis of real-space transport channels for electrons and holes in halide perovskites	14
Electron-magnon scattering in an anisotropic half-metallic ferromagnetic Weyl semimetal Co	14
Common defects in diamond lattices as instances of the general T ⊗ 14
Density-functional theory and triply-periodic minimal surfaces	14
Single-crystalline PbTe film growth through reorientation	13
Observing structural distortions in a LaMnO3 bilayer heterostructure on var	13
Atomic-level study on the interaction of plastic slip with Σ3{	13
Correlated dynamic disorder, octahedral tilts, and acoustic phonon softening in CsSnBr3	13
Charge-to-spin conversion in the quasi-two-dimensional electron gas emerging at the hydrogen-doped interface betweenLiNbO	13
Electron-phonon coupling in ferromagnetic Fe-Co alloys from first principles	13
Erratum: Prediction of strong topological insulator phase in kagome metal R	13
Giant anisotropic magnetoresistance at low magnetic fields in a layered semiconductor	13
Effect of a temperature gradient on the screening properties of ionic fluids	13
Resistance minimum in LaAlO3/	13
Formation of NixFe3	13
Composition-dependent ferroelectric behavior in Zn	13
Metastable phase of UTe2 formed under high pressure above 5 GPa	13
Multiferroic ScLaX2 (	13
Hybrid improper dipolar density wave in NaLaCoWO6	13
Structural transition at the subsurface of few-layer Bi(110) film during the growth	13
Phonon-mediated superconductivity near the lattice instability in hole-doped hydrogenated monolayer hexagonal boron nitride	13
Random forest prediction of crystal structure from electron diffraction patterns incorporating multiple scattering	13
Importance of the 4p states of As and the interlayer cation states in LaFe2	13
Low-energy irradiation induced giant quasilinear superelasticity over wide temperature range in NiTi shape memory alloys	13
Band structure of Bi surfaces formed on Bi2Se	13
Surface-induced ferromagnetism and anomalous Hall transport at Zr2	13
Recurrence of superconductivity in thickness-gradient L	13
Mechanical behavior of reactive Al/Ni multilayers by molecular dynamics simulations	13
Charge state and entropic effects affecting the formation and dynamics of divacancies in 3C-SiC	13
High-performance thermoelectric properties of strained two-dimensional tellurium	12
Combining electron-phonon and dynamical mean-field theory calculations of correlated materials: Transport in the correlated metal	12
BA2N	12
Machine learning moment tensor potential for modeling dislocation and fracture in L10<	12