Physical Review Materials

Article	Citations
Ab initio tight-binding models for mono- and bilayer hexagonal boron nitride ( h -BN)	116
Overcoming the pulse-width limitation of third-order optical nonlinearity for above bandgap excitation in nanoparticles	115
Intermediate temperature structural modulation and properties of CoIn2	83
Influence of solutes on the core structures of 〈a〉 -type sc	82
Tuning of the dimensionality in an S=1/2	78
Free-standing zirconia metasurfaces for microwave resonant polarization conversion	77
Mg dopants in lithium niobate ( LiNbO3 , LN): Defect models and impact on dom	72
Direct comparison of magnetic penetration depth in kagome superconductors A	69
Exotic surface magnetotransport phenomena in the antiferromagnetic Mott insulator Ni68
Buffer-layer effect on the ferromagnetism of manganite heterojunctions	65
Linear nonsaturating magnetoresistance and superconductivity in epitaxial thin films of YbSb2	65
Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures	57
Erratum: Can the noble metals (Au, Ag, and Cu) be superconductors? [Phys. Rev. Materials 8 , L101801 (2024)]	54
Structure-driven prediction of magnetic order in uranium compounds	52
Kinetics of orbital ordering in cooperative Jahn-Teller models: Machine-learning enabled large-scale simulations	50
Insensitivity of nucleation rate to order-disorder interfaces in reversible thermoelastic martensitic transformations	45
Mechanical regularization	45
Essential role of magnetic frustration in the phase diagrams of doped cobaltites	45
Thermomigration of Au-Ge microdroplets on Ge(111): Atomic mechanisms and effects on surface morphology	44
Avalanche dynamics and the effect of straining in dislocation systems with quenched disorder	41
Origins of background signal effects in all-metallic non-local spin valves	40
Emergence of cubic ordered full-plane persistent spin textures in lead-free materials	39
Magnetic compensation and preferential substitution site for Ag in Mn	38
Direct observation of emergent ice-rule dynamics in a vertex-frustrated dipolar Cyrrhus lattice	37
Formation of the E4* level in implanted	37

Ab initio simulation of segregation at oxide-metal interfaces in GRX-810 alloy	37
Record-large magnetically driven polarization in room temperature ferromagnets OsX	36
High-refractive-index materials screening from machine learning and ab initio methods	35
Magnetic phase transition induced ferroelectric polarization in BaFeF4 with	35
Direct determination of the charge transition level of dopants in oxides by x-ray photoelectron spectroscopy	35
Hybrid nodal-ring phonons with hourglass dispersion in AgAlO2	35
Erratum: Anomalous band renormalization due to a high-energy kink in K	34
Generation and routing of nanoscale droplet solitons without compensation of magnetic damping	34
Erratum: Bridging particle deformability and collective response in soft solids [Phys. Rev. Materials 5 , 055605 (2021)]	34
EXAFS sheds light on short-range ordering in Ge	34
Density functional theory study ofNO−H	33
Tailored pseudopotentials for magnesium surface core level shift calculations	33
Correlation effects in two-dimensional MX2	32
Epitaxial strain-tuned oxygen vacancy formation, reduction behavior, and electronic structure of perovskite SrIr	32
Tunable magnon topology in monolayer CrI3 under external stimuli	32
Pressure and doping effects on the electronic structure and magnetism of the single-layer nickelate	31
Determination of spin Hall angle in the Weyl ferromagnet Co2MnGa	31
Octahedral distortions in SrNbO3 : Unraveling the structure-property relatio	31
Defect-driven switchable polarization in SrTiO	31
Latent space active learning with message passing neural network: The case of HfO2	31
Kinetically controlled composition of III-V ternary nanostructures	31
Screening practical nonlinear optical crystals by using graph neural networks	30
Enhanced mobility of ternary InGaAs quantum wells through digital alloying	30
Unconventional Landau level transitions in Weyl semimetal NbP	30
Vacancy-mediated transport and segregation tendencies of solutes in fcc nickel under diffusional creep: A density functional theory study	29
Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111)	29
Deformation-induced medium-range order changes in bulk metallic glasses	29
Specular inverse Faraday effect in transition metals	29
Highly interpretable machine learning framework for prediction of mechanical properties of nickel based superalloys	29
Band gaps of halide perovskites from a Wannier-localized optimally tuned screened range-separated hybrid functional	29
Electronic and optical properties of Janus-like hexagonal monolayer materials of group IV-VI	29
Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates	28
Many-body mechanochemistry: Intramolecular strain in condensed matter chemistry	28
Minimal and versatile description of diffusion and swelling in polymer-solvent systems: Modeling and experimental validation	27
Surface termination control of charge transfer and band alignment across a semiconductor–crystalline-oxide heterojunction	27
Tuning of structure and host dynamics via yttrium doping in Bi2	27
Deep machine learning potential for atomistic simulation of Fe-Si-O systems under Earth's outer core conditions	27
THz-induced activation of hidden states in rare-earth-doped BiFeO3 solid so	27
Interplay of surface transfer doping and Burstein Moss shift in V2<	26
Optical phonons and magnetoelastic coupling in the ionic conductor AgCrSe2	26
Accurateab initiomodeling of solid solution strengthening in high entropy alloys	26
Effect of crystallinity on spin-orbit torque in 5 d iridium oxide IrO 26
Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte Li6	25
Hydroflux-controlled growth of magnetic K-Cu-Te-O(H) phases	25
Nonmonotonic effect of chemical heterogeneity on interfacial crack growth at high-angle grain boundaries in Fe-Ni-Cr alloys	25
First-principles study of magnetic states and the anomalous Hall conductivity of MNb	25
Kinetic fragility directly correlates with the many-body static amorphous order in glass-forming liquids	24
Physical properties of intergrowth compound Eu2CuZn	24
Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials	24
Electron-optical phonon scattering in doped GaAs quantum well	24

Database mining and first-principles assessment of organic proton-transfer ferroelectrics	24
Laser-induced demagnetization in van der Waals XY - and Ising-like antiferro	24
Electronic structure of a nodal line semimetal candidate TbSbTe	24
Low contact resistance and electrical transport improvement obtained by surface adsorption strategy in blue phosphorene field-effect transistor	24
Probing the uniaxial strain-dependent valley drift and Berry curvature in monolayer MoSi2	24
Evidence of a first-order magnetic transition in HoPtSn	23
Electronic structure of nitrogen-doped lutetium hydrides	23
Sequences of dislocation reactions and helicity transformations in tubular crystals	23
Valleytronics and negative differential resistance in cubic boron nitride: A first-principles study	23
Low-intensity illumination induced relaxation and charge transport behavior of single crystal halide perovskites	23
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
Hybrid functionals for periodic systems in the density functional tight-binding method	22
Multi-mem behavior at reduced voltages in La1/2	22
Length and torsion dependence of thermal conductivity in twisted graphene nanoribbons	22
Physical properties of Ce3+x	22
Erratum: Energy scales in 4f1 delafos	21
Competing polar and antipolar phases in n=2 Ruddlesden-Pop	21
Theoretical exploration of mechanical and superconducting properties of two-dimensional Cairo penta- BP2	21
Strain-engineering of magnetic anisotropy in Cox	21
External screening and lifetime of exciton population in single-layer ReSe2	21
Static magnetic and ESR spectroscopic properties of the dimer-chain antiferromagnet BiCoPO	21
Analysis of atomic structure, magnetic ordering, and oxygen diffusion in oxygen deficient Sr	21
Magnetic properties of the quasi-one-dimensional S=1 spin	20
Magnetic field-induced tetragonal domain alignment and structural distortion in the spin-orbit-coupled insulator B	20
Physical origin of depolarization effects in HfO2 films	20
Optimizing the adsorption strength of oxygen intermediates on NiCo<	20
Finite-temperature properties of CsPbI3 thin films	20
First-principles study of dynamic instability and phase transformation in the WRe and WOs sigma phase	20
Machine-learned search for the stable structures of silicene on Ag(111)	20
Challenges to magnetic doping of thin films of the Dirac semimetal Cd3	20
First-principles investigation of elastic, vibrational, and thermodynamic properties of kagome metals CsM	20
Probing the interface and individual layers in cuprate/manganite heterostructures by Raman spectroscopy	20
Phase diagram of growth modes in graphene growth on copper by vapor deposition	20
Observation of magnetic field-induced second magnetic ordering and peculiar ferroelectric polarization in L-type ferrimagnetic	19
Diluting a triangular-lattice spin liquid: Synthesis and characterization of NaYb1	19
Fast and accurate prediction of material properties with three-body tight-binding model for the periodic table	19
Structure and related properties of amorphous magnesium aluminosilicates	19
Influence of an Al2O3	19
Iterative cluster expansion approach for predicting the structure evolution of mixed Ruddelsden-Popper oxides La	19
Impact of dynamic Jahn-Teller effect on magnetic excitations, lattice vibration, and thermal conductivity in	19
Inelastic neutron spectra of polyacrylonitrile-based carbon fibers	19
How does your gyroid grow? A mesoatomic perspective on supramolecular, soft matter network crystals	19
Anomalous and parallel Hall effects in ferromagnetic Weyl metal Cr3	19
Theoretical insights into inorganic antiperovskite nitrides ( X3	19
Origin of antiferroelectricity in NaNbO3	19
Regulation mechanisms of electron-delocalized single transition metal-doped Mo2	19
Driving force induced transition in thermal behavior of grain boundary migration in Ni	19
Dynamic length scale and weakest link behavior in crystal plasticity	19
Native defects, hydrogen impurities, and metal dopants in CeO2	19
Epitaxial growth and stoichiometry control of pyrochlore Nd2<	19
Magnetization and antiferromagnetic coupling of the interface between a 20 nm Y	18
Infrared dielectric functions and Brillouin zone center phonons of α−Ga	18
Revealing the role of hydrogen in reducing optical absorption and mechanical loss in magnetron-sputtered amorphous silicon for gravitational-wave detectors	18
Carbon-induced magnetic properties and anomalous Hall effect in Co2	18
Morphology selection in dealloying: A phase field study of the coupling among kinetic mechanisms	18
Impact of oxygen ordering on titanium lattice parameters	18
Structure prediction of stable sodium germanides at 0 and 10 GPa	18
Layer parity independent second order nonlinear optics in	18
Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning	18
Hysteresis and energy barriers in soft magnets	18
Potential for exciton condensation in a highly conductive amorphous polymer	17
Logarithmic versus Andrade's transient creep: Role of elastic stress redistribution	17
Ab initio tensile tests applied to bcc refractory alloys	17
Electrical detection of domain evolution in magnetic Weyl semimetal Co3	17
Single-crystal growth and magnetic properties of quasi-one-dimensional Ce3	17
Tuning the electronic structure of the trichloride honeycomb lattice by transition metal substitution	17
Theory of polymers in binary solvent solutions: Mean-field free energy and phase behavior	17
Disentangling photoexcitation and photoluminescence processes in defective MgO	17
Shear-band cavitation determines the shape of the stress-strain curve of metallic glasses	17
Origin of negative anisotropic magnetoresistance effect in Fe0.75	17
Potential high-performance magnet materials: Co- and Al-alloyed Sm2	17
Speed of sound and elastic properties of single crystals of inorganic and hybrid lead-free iodide perovskites obtained by femtosecond transient optical reflectivity	17
Effect of crystal defects in iron on carbon diffusivity: Analytical model married to atomistics	17
Layer-dependent Raman spectroscopy of ultrathin Ta2Pd	17
Electric field induced phototransport in dye-doped semiconducting polymer	17
Spin-reorientation-driven temperature-dependent intrinsic anomalous Hall conductivity observed in Fe3	17
Molecular dynamics study of hydrogen Cottrell atmosphere in aluminum: Influence of solute-solute interactions in the dislocation core	17
Mixed excitonic nature in water-oxidized BiVO4 surfaces with defects	17
Current-induced magnetization switching in a magnetic topological insulator heterostructure	17

Carbonization-driven motion of Si islands on epitaxial graphene	17
Isotropic orbital magnetic moments in magnetically anisotropic SrRuO3 films	17
Influence of Cu and Ge chemical doping on the metastability and charge density wave state of β−	16
Gapless dynamic magnetic ground state in the charge-gapped trimer iridate Ba4	16
Crystal growth, transport, and magnetic properties of quasi-one-dimensional L	16
Imaging coherent phonons and precursor dynamics in LaFeAsO with 4D ultrafast electron microscopy	16
Unconventional superconducting pairing in a B20 multifold Weyl fermion semimetal	16
Effects of isovalent substitution on the structure and properties of Fe0.25	16
Hydrogen-impurity-induced unconventional magnetism in semiconducting molybdenum ditelluride	16
Universal framework to determine solid solution strengthening from dilute to concentrated alloys	16
Electronic structure of antiferromagnetic Dirac semimetal candidate GdIn3	16
Effect of Ti-doping on the dimer transition in Lithium Ruthenate	16
Memory effect in photochromic rare-earth oxyhydride thin films studied by in situ positron annihilation spectroscopy upon photodarkening-bleaching cycling	16
Low temperature oxidation of amorphous silicon nanoparticles	16
Scattering mechanisms in state-of-the-art GaAs/AlGaAs quantum wells	16
Phonon-mediated superconductivity near the lattice instability in hole-doped hydrogenated monolayer hexagonal boron nitride	16
Possible Wigner states in CrI3 heterostructures with graphene: A tight-bind	15
Long-range magnetic ordering of FePc molecules driven by interfacial coupling with antiferromagnetic	15
Single-crystalline PbTe film growth through reorientation	15
Interplay of hydrogen boride sheets with water: An insight into edge stability	15
Nanostructure and phase engineering of manganese oxide thin films grown by pulsed laser deposition: A Raman and XRD study	15
Common defects in diamond lattices as instances of the general T ⊗ 15
Geometrical control of disorder-induced magnetic domains in planar synthetic antiferromagnets	15
Quantum criticality linked to the suppressed superconducting upper critical field in Ni-doped CeCoIn5	15
Towards identifying the PL6 center in SiC: From first-principles screening to hyperfine validation of competing defect candidates	15
Nonequilibrium molecular dynamics of ion conduction with equivariant neural network models	15
Predicting magnetic properties of van der Waals magnets using graph neural networks	15
Synthesis and physical properties of a new layered ferromagnet Cr1.21	15
Theoretical models of double twinning in magnesium	15
Interplay of S =	15
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
Studies of two-dimensional material resistive random-access memory by kinetic Monte Carlo simulations	15
Tuning the magnetic anisotropy in artificially layered Mn3GaN	15
Prediction of strong topological insulator phase in kagome metal R	15
High-pressure Na3(	15
Searching for low thermal conductivity materials for thermal barrier coatings: A theoretical approach	15
Lattice quantum geometry controlling 118 K multigap superconductivity in heavily overdoped CuB	15
Deformation and slip systems of CaCl2 -type 15
Analysis of real-space transport channels for electrons and holes in halide perovskites	15
Thermoelectric transport properties of the quasi-one-dimensional dimer-Mott insulator β′	15
Spectroscopic investigations of multiple environments in Er: CaWO4 through c	14
Colossal dielectric response of H	14
Density-functional theory and triply-periodic minimal surfaces	14
Superconductivity in thin films of RuN	14
Atomistic modeling of Li- and post-Li-ion batteries	14
THz and sub-THz antiferromagnetic magnons via magnetoacoustic resonances excited by picosecond strain pulses in NiO	14
Ballistic spin-transport properties of magnetic tunnel junctions with MnCr-based ferrimagnetic quaternary Heusler alloys	14
Structural and magnetic phase transitions in Fe3Ge	14
Evolution of charge density waves from three-dimensional to quasi-two-dimensional in kagome superconductors Cs	14
Doubling the mobility of InAs/InGaAs selective area grown nanowires	14
Tilt-driven antiferroelectricity in PbZrO3	14
Correlated anharmonicity and dynamic disorder control carrier transport in halide perovskites	14
Direct evidence of induced magnetic moment in Se and the role of misplaced Mn in MnBi2	14
Interplay of itinerant magnetism and spin-glass behavior inFex	14
Two-dimensional superconductivity in a bulk superlattice van der Waals material Ba6	14
Investigation of weak antilocalization and π -Berry phase by quantum oscillation in ferromagnetic Weyl semimetals	14
Structure transition and zigzag magnetic order in Ir/Rh-substituted honeycomb lattice α−	14
Electron-magnon scattering in an anisotropic half-metallic ferromagnetic Weyl semimetal Co	14
Charge carrier coupling to the soft phonon mode in a ferroelectric semiconductor	14
Anharmonic thermo-elasticity of tungsten from accelerated Bayesian adaptive biasing force calculations with data-driven force fields	14
Onset of vacancy-mediated high activation energy leads to large ionic conductivity in two-dimensional layered Cs	14
Resistance minimum in LaAlO3/	13
Hybrid improper dipolar density wave in NaLaCoWO6	13
Structural transition at the subsurface of few-layer Bi(110) film during the growth	13
Ab initio construction of full phase diagram of MgO-CaO eutectic system using neural network interatomic potentials	13
Giant anisotropic magnetoresistance at low magnetic fields in a layered semiconductor	13
Mechanical-force-driven charge redistribution for hydrogen release at ambient conditions in transition-metal-intercalated bilayer graphene	13
Rashba and Zeeman splitting in non-magnetic and non-centrosymmetric MXene Ta2	13
Structural prediction of Fe-Mg-O compounds at super-Earth's pressures	13
Machine learning for metallurgy V: A neural-network potential for zirconium	13
Intersecting multiaxial domain walls in plastic ferroelectric crystal films	13
Strain-tunable magnetic and magnonic states in Ni-dihalide monolayers	13
Importance of the 4p states of As and the interlayer cation states in LaFe2	13
Recurrence of superconductivity in thickness-gradient L	13
Mechanical behavior of reactive Al/Ni multilayers by molecular dynamics simulations	13
Effect of a temperature gradient on the screening properties of ionic fluids	13
Electron-phonon coupling and thermal conductivity of MAB compounds	13
Charge-to-spin conversion in the quasi-two-dimensional electron gas emerging at the hydrogen-doped interface betweenLiNbO	13
Tuning charge density wave order and superconductivity in the kagome metals KV3	13
Interfacial defect properties of high-entropy carbides: Stacking faults, Shockley partial dislocations, and a new Evans-Polanyi-Semenov relation	13
From valence fluctuations to long-range magnetic order in EuPd2	13
Anomalous bending and transmission at the Bragg condition by crystal stacking fault	13
Electron-phonon coupling in ferromagnetic Fe-Co alloys from first principles	13
Observing structural distortions in a LaMnO3 bilayer heterostructure on var	13
Erratum: Prediction of strong topological insulator phase in kagome metal R	13
Solid carbon dioxide under multimegabar pressures: Isentropic magnetic compression and ab initio study of equations of state	13
Role of material-dependent properties in THz field-derivative-torque-induced nonlinear magnetization dynamics	13
Formation of NixFe3	13
Band structure of Bi surfaces formed on Bi2Se	13
Bulk and surface electronic structure of Bi4	13
Tailoring noncollinear magnetism and 3d−4f	13
Analysis of state-dependent fluorescence effects and electronic structure in multivalent manganese oxides	13
Facile integration of giant exchange bias in Fe5Ge	13
Heterointerface effects of lithium intercalation and diffusion in van der Waals heterostructures	13
Competition between phonon-vacancy and four-phonon scattering in cubic boron arsenide by machine learning interatomic potential	12