Physical Review Materials

Article	Citations
Pressure dependence of electronic, vibrational and optical properties of wurtzite-boron nitride	356
Spontaneous formation of core-shell elemental distributions in mononuclear growth of III-V ternary nanostructures	94
Erratum: Bridging particle deformability and collective response in soft solids [Phys. Rev. Materials 5 , 055605 (2021)]	94
Trap-limited diffusion of Zn in β−Ga2	91
Erratum: Machine learning for metallurgy III: A neural network potential for Al-Mg-Si [Phys. Rev. Materials 5 , 053805 (2021)]	64
Large intrinsic spin Hall conductivity in orthorhombic tungsten	55
Correlation effects in two-dimensional MX2	51
Unfolding the band structure of van der Waals heterostructures	51
Erratum: Anomalous band renormalization due to a high-energy kink in K	48
Molecular beam epitaxy of Sr5Au2<	48
Abnormal temperature dependent elastic properties of fused silica irradiated by ultrafast lasers	47
Resonance energy transfer from moiré-trapped excitons in MoSe	46
Crystal morphing: Structural interpolation including crystal invariances	45
Theoretical prediction of two-dimensional II-V compounds	44
Robust and efficient calculation of activation energy by automated path search and density functional theory	43
Nonreciprocity in millimeter wave devices using a magnetic grating metamaterial	42
Interpreting force response patterns of a mechanically driven crystallographic phase transition	41
Probabilistic deep learning approach for targeted hybrid organic-inorganic perovskites	38
Generation and routing of nanoscale droplet solitons without compensation of magnetic damping	37
Network approach for the analysis of the irreversible deformation of solids with soft heterogeneities	36
Editorial: To Review Is to Be	35
Extreme mechanics of colloidal polymers under compression: Buckling, creep, and break-up	34
Extrapolation to the complete basis-set limit in density-functional theory using statistical learning	34
Minimal and versatile description of diffusion and swelling in polymer-solvent systems: Modeling and experimental validation	34
YbNi4Mg : Superheavy fermion with enhan	34

Avalanches during micro-galvanic corrosion of Mg-Cu-Al alloys in NaCl solution	34
Metal-insulator transition in n -type bulk crystals and films of strongly compensated 33
Formation of vacancies and metallic-like domains in photochromic rare-earth oxyhydride thin films studied by in-situ illumination positron annihilation spectroscopy	32
Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates	32
Competing magnetic states in multiferroic BaYFeO4<	32
Spin-flop quasi metamagnetic, anisotropic magnetic, and electrical transport behavior of Ho substituted kagome magnet	32
Spatial extent of the Dzyaloshinskii-Moriya interaction at metallic interfaces	32
Thickness-driven formation of a magnetic insulating state in monoclinic SrIrO3	32
Electron-hole symmetry in quasiparticle spectral weight of cuprates observed via infrared and photoemission spectroscopy	31
Coherent vibrational dynamics of NbO2 film	31
Phase stability and micromechanical properties of TiZrHf-based refractory high-entropy alloys: A first-principles study	31
Local positional and spin symmetry breaking as a source of magnetism and insulation in paramagnetic EuTi<	31
Orbital control of metal-to-insulator transition in high-entropy nickelates	31
Atomic layer deposition of yttrium iron garnet thin films	30
Fingerprinting soft material nanostructure response to complex flow histories	30
Cr2S3	30
Valley-dependent properties in two-dimensional Cr2COF	30
Electron count dictates phase separation in Heusler alloys	29
Angular-dependent interatomic potential for large-scale atomistic simulation of the Fe-Cr-H ternary system	28
Vacancy-tuned magnetism in LaMnxSb2	28
Exploring the correlation between the spin-state configuration and the magnetic order in Co-substituted BiFeO	28
Phonon softening and electron-phonon coupling in the topological nodal-line semimetal ZrGeSe	28
Lateral solid phase epitaxy of yttrium iron garnet	27
Temperature-induced structural and electronic phase transitions in λ -phase T	27
Tunable magnetic scattering and ferroelectric switching at the LaAlO3	27
Short-to-medium range structure and glass-forming ability in metallic glasses	27
Room-temperature ferromagnetism in two-dimensional CrBr3	26
Structural, magnetic, and magnetocaloric properties of triangular-lattice transition-metal phosphates	26
Low-temperature paramagnetic phase reentrance in praseodymium-doped manganites	25
Morphology of nanoporous glass: Stochastic 3D modeling, stereology and the influence of pore width	25
Structure-property relationships and mobility optimization in sputtered La-doped BaSn	25
Two-dimensional intrinsic ferrovalley Janus 2H-VSeS monolayer with high Curie temperature and robust valley polarization	25
Spin-lattice coupling in magnetocaloric Gd5	25
Coarsening of solidβ-Sn particles in liquid Pb-Sn alloys: Reinterpretation of experimental data in the framework of trans-interface-diffusion-controlled coarsening	25
Birefringence induced by antiferroelectric switching in transparent polycrystalline PbZr	25
Epitaxial growth, structural and magnetic characterization of thulium thin films	25
Engineering underdoped CuO2 nanoribbons in nm-thick 24
Observation of inverse magnetocaloric effect in magnetic-field-induced austenite phase of Heusler alloys Ni	24
Magnetic properties of CoFeB films grown on a single-layer graphene underlayer	24
Annealing-induced evolution of boron-doped polycrystalline diamond	24
Control of band structure of FeSe single crystals via biaxial strain	23
Complex fermiology and electronic structure of antiferromagnet EuSnP	23
Highly anisotropic magnetism in the vanadium-based kagome metal TbV6	22
Synthesis and magnetic properties of the Shastry-Sutherland family R2	22
Dielectric effects, crystal field, and shape anisotropy tuning of the exciton fine structure of halide perovskite nanocrystals	22
Low electronic conductivity of Li7La3	22
Band gaps of halide perovskites from a Wannier-localized optimally tuned screened range-separated hybrid functional	22
Microstructural analysis and electro-optic properties of thick epitaxial BaTiO3	22
Large fieldlike torque in amorphous Ru2Sn3	22
Understanding the fundamental driver of semiconductor radiation tolerance with experiment and theory	22

Thin film growth of phase-separating phthalocyanine-fullerene blends: A combined experimental and computational study	22
Valence study of Li(Ni0.5	22
Relationship between molecular structure and corrugations in self-assembled polypeptoid nanosheets revealed by cryogenic electron microscopy	21
First-principles study on the electronic properties and Schottky barrier of WC/ W	21
Fragile altermagnetism and orbital disorder in Mott insulator LaTiO3	21
Ferroelectricity in oxygen-terminated two-dimensional carbides of lanthanide elements	21
Tuning the flat bands of the kagome metal CoSn with Fe, In, or Ni doping	21
Charge density wave and superconductivity in the kagome metal CsV3	21
Antiphase boundary migration as a diffusion mechanism in a P3 sodium layered oxide	21
Phase coexistence and negative thermal expansion in the triple perovskite iridate Ba3	21
Analysis of lattice locations of deuterium in tungsten and its application for predicting deuterium trapping conditions	21
Unit-cell-thick domain in free-standing quasi-two-dimensional ferroelectric material	21
Tunable Gilbert damping and magnetization in B-rich Fe1−	21
Machine learning surrogate models for strain-dependent vibrational properties and migration rates of point defects	20
New Gd-based magnetic compoundGdPt2B	20
Distinctive characteristics of exciton-phonon interactions in optically driven MoS2	20
Ground-state structures, electronic structure, transport properties and optical properties of Ca-based anti-Ruddlesden-Popper phase oxide perovskites	20
Resonant transition metal Ti or Ta doping in high mobility transparent conducting CdO: The effects of doping concentration	20
Enhanced diffusion and universal Rouse-like scaling of an active polymer in poor solvent	20
Valley relaxation of resident electrons and holes in a monolayer semiconductor: Dependence on carrier density and the role of substrate-induced disorder	20
Localization of edge states at triangular defects in periodic MoS	19
Anisotropic magnetotransport properties coupled with spiral spin modulation in a magnetic semimetal EuZnGe	19
Electronegative metal dopants improve switching variability in Al2<	19
Relation between crystal structure and optical properties in the correlated blue pigment YIn	19
Epitaxial strain-tuned oxygen vacancy formation, reduction behavior, and electronic structure of perovskite SrIr	19
Clamping effect on temperature-induced valence transition in epitaxial EuPd2<	19
Dilution of the magnetic lattice in the Kitaev candidate α−RuCl	19
Vacancy localization effects on MX2 transition-metal d	19
High-temperature metallic glasses: Status, needs, and opportunities	19
Influence of crystalline defects on magnetic nanodomains in a rare-earth-free magnetocrystalline anisotropic alloy	18
Cr-Cr distance and magnetism in the phase diagram of triangular lattice antiferromagnets: A systematic comparative study	18
Atomic-scale characterization of single and double layers of InAs and InAlAs Stranski-Krastanov quantum dots	18
Elastic interactions of plastic events in strained amorphous solids before yield	18
High-resolution diffraction reveals magnetoelastic coupling and coherent phase separation in tetragonal CuMnAs	18
α−β phase transition of zirconium predicted by on-the-fly machine-learned	18
Probing intrinsic magnetization dynamics of the Y3	18
Defect control in the Heisenberg-Kitaev candidate material NaRuO2	18
Enhancement of excitonic and defect-related luminescence in neutron transmutation doped β−	18
Magnetic Weyl and quadratic nodal lines in inverse-Heusler-based fully compensated ferrimagnetic half-metals	18
Bulk electronic structure of lanthanum hexaboride ( LaB6	18
Effective reduction of PdCoO2 thin films via hydrogenation and sign tunable	18
Machine learning approaches for feature engineering of the crystal structure: Application to the prediction of the formation energy of cubic compounds	18
Fermiology of a topological line-nodal compound CaSb2	18
Transient electron scavengers modulate carrier density at a polar/nonpolar perovskite oxide heterojunction	18
Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111)	18
Theoretical model for prediction of high-strength metallic glasses	18
Helical microstructures in molluscan biomineralization are a biological example of close packed helices that may form from a colloidal liquid crystal precursor in a twist–bend nematic phase	17
Magnetic properties of van der Waals layered single crystals DyOBr and SmOCl	17
Interplay between dislocation type and local structure in dislocation-twin boundary reactions in Cu	17
Ultrafast phase transitions in polyamorphic materials triggered by swift heavy ion impacts	17
Phase transition pathway of hybrid halide perovskites under compression: Insights from first-principles calculations	17
Revealing defect-induced spin disorder in nanocrystalline Ni	17
First-principles study of the structural and electronic properties of BN-ring doped graphene	17
Interaction between dislocation and vacancies in magnesium oxide: Insights from atomistic simulations and elasticity theory	17
Electronic and optical properties of Janus-like hexagonal monolayer materials of group IV-VI	17
Energy-efficient spin injector into semiconductors driven by elastic waves	17
Nodal line induced large transverse thermoelectric response in the D0	17
Vacancy-mediated transport and segregation tendencies of solutes in fcc nickel under diffusional creep: A density functional theory study	17
Quasi-isotropic orbital magnetoresistance in lightly doped SrTiO3<	17
Early-stage growth of GeTe on Si(111)-Sb	16
Design of refractory compositionally complex alloys with optimal mechanical properties	16
Trilinear-coupling-driven ferroelectricity in HfO2	16
X-ray free electron laser studies of electron and phonon dynamics of graphene adsorbed on copper	16
Role of local structure in the optical and electronic properties of oxygen vacancies in different crystal phases of	16
Tetragonal phases in Fe-Ga alloys: A quantitative study	16
Insight into the mechanism of bidirectional magnetoelectric effects unveil cycloidal/uncompensated hybrid antiferromagnetic multiferroics	16
Reaction kinetics of the thermal decomposition of MAPbI3 thin films	16
Proximate Tomonaga-Luttinger liquid in a spin- 1/2 ferromag	16
Lead-free room-temperature ferroelectric thermal conductivity switch using anisotropies in thermal conductivities	16
Absence of itinerant ferromagnetism in a cobalt-based oxypnictide	16
Symmetry-driven large tunneling magnetoresistance in SrRuO3 magnetic tunnel	16
Imaging CdCl2 defect passivation and formation in poly	16
Enhanced mobility of ternary InGaAs quantum wells through digital alloying	16
Perfect in-plane CrI3 spin-valve driven by photogalvanic effect	16
Thickness-dependent insulator-to-metal transition in epitaxial RuO<	16
Magnetic excitation linking quasi-one-dimensional Chevrel-type selenide and arsenide superconductors	16
Subjugating extensive magnetostructural temperature window and giant magnetocaloric effect in B-doped (<	16
Effect of (001) and (111) epitaxial strain on Pnma perovskite oxides	16
Using ferroelastic variant switching to tune ferromagnetic properties of 1T	16
Boundary-induced phase in epitaxial iron layers	15

Tribology of hard particles lubricating soft surfaces	15
Epitaxial growth, magnetoresistance, and electronic band structure of GdSb magnetic semimetal films	15
Optical and excitonic properties of transition metal oxide perovskites by the Bethe-Salpeter equation	15
Two-dimensional 2γ−In2	15
Canted antiferromagnetism in a van der Waals metallic material TaNi2	15
Entangled origins of the nonmagnetic states of U and Fe atoms in hydrogenated UFeGe	15
Structural evolution of the kagome superconductors AV3	15
Band structure, superconductivity, and polytypism in AuSn4	15
Continuous structural phase transition and antiferromagnetic order in ilmenite-type NiVO3	15
Irradiation-induced creep in UO2: The role of grain bounda	15
Magnetostriction of AlFe215
Quantum paraelectricity and structural phase transitions in strontium titanate beyond density functional theory	15
Understanding the behavior of exchange bias and coercive fields and connections with anisotropic interfaces in Co<	15
Understanding magnetic phase coexistence in Ru2Mn<	15
Mechanical regularization	15
Effect of intrinsic point defects on the catalytic and electronic properties of Cu2	15
Highly interpretable machine learning framework for prediction of mechanical properties of nickel based superalloys	15
Modifying interprotein interactions for controlling heat-induced protein gelation	15
First-principles study of strain behavior in iron-based fluorides of tungsten bronze type as cathode materials for alkali-ion batteries	15
Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations	15
DFT calculations of carrier-trapping effects on atomic structures of 30° partial dislocation cores in zincblende II-VI group zinc compounds	15
Origin of the difference in spin-dependent transport properties between half-metallic C	15
Computational design of high-entropy rare earth aluminum garnets for advanced thermal and environmental barrier coatings	14
Structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit	14
Room-temperature persistent photoconductivity of KTaO3	14
Topological Hall effect induced by chiral fluctuations in ErMn6	14
Crystal growth and anisotropic magnetic properties of quasi-two-dimensional(Fe	14
Crystal growth, exfoliation, and magnetic properties of quaternary quasi-two-dimensional CuCrP	14
Understanding the low resistivity of the amorphous phase of Cr2	14
Thin film synthesis, structural analysis, and magnetic properties of novel ternary transition metal nitride MnCoN	14
Circular dichroism of distorted double gyroid thin film metamaterials	14
Deep learning of spectra: Predicting the dielectric function of semiconductors	14
Ferroelectricity in strained Hf2CF2	14
Optically resolved exchange splittings in the doped van der Waals ferromagnet CrBr3	14
First-principles design of ambient-pressure Mgx	14
Learning from metastable symmetric-tilt grain boundaries using physics-based descriptors	14
Acceptor and donor impurity levels in hexagonal-diamond silicon	14
Identifying crystal structures beyond known prototypes from x-ray powder diffraction spectra	14
Exciton-driven linear and nonlinear optical responses in metal monoxide monolayersMO	14
Tunable magnetic interactions in mono-transition metal spinels MgCr2	14
Migration and clustering of early-stage irradiation damage in vanadium	14
Amplitude expansion of the phase-field crystal model for complex crystal structures	14
Temperature effects on the elastic and thermodynamic properties of Al1	14
Assessing grain boundary variability through phase field crystal simulations	14
Record-large magnetically driven polarization in room temperature ferromagnets OsX	14
Vibrational properties of LiNbO3 and 14
Dynamic glass transition dramatically accelerates crack propagation in rubberlike solids	14
Intrinsic instability to martensite phases in ferromagnetic shape memory alloy Ni2	14
Quantitative measurement of structural fluctuation at LaNiO3	13
Latent space active learning with message passing neural network: The case of HfO2	13
Formation of parallel and perpendicular ripples on solid amorphous surfaces by ion beam-driven atomic flow on and under the surface	13
Cd implantation in α−MoO3<	13
Hot-press sintering of aluminum nitride nanoceramics	13
Charge order, frustration relief, and spin-orbit coupling in U3	13
Regulation of the phase transition temperature and hysteresis width by changing the composition of Eu	13
Machine learning band gaps from the electron density	13
Revealing contributions to conduction from transport within ordered and disordered regions in highly doped conjugated polymers through analysis of temperature-dependent Hall measurements	13
Orbital occupancy and hybridization in strained SrVO3	13
First-principles modeling of complexions at the phase boundaries in Ti-doped WC-Co cemented carbides at finite temperatures	13
Interplay between magnetism and short-range order in medium- and high-entropy alloys: CrCoNi, CrFeCoNi, and CrMnFeCoNi	13
Thermal cycling induced alteration of the stacking order and spin-flip in the room temperature van der Waals magnet	13
Pentacene growth on the (111) surface of the 1/1 Au-Al-Tb approximant: Influence of surface geometry on adsorption	13
Observation of Fermi arcs and Weyl nodes in a noncentrosymmetric magnetic Weyl semimetal	13
Flow of polar and nonpolar liquids through nanotubes: A computational study	13
Magnetism and site occupancy in epitaxial Y-rich yttrium iron garnet films	13
Defect formation and migration in MAlB (M=	13
Investigation and field effect tuning of thermoelectric properties of SnSe2	13
RETRACTED: Realization of chiral multifold semimetal RhSi crystalline thin films	13
Kinetics of orbital ordering in cooperative Jahn-Teller models: Machine-learning enabled large-scale simulations	13
Surface superconductivity emerged from disordered surface in undoped BaFe2	13
Structure-driven prediction of magnetic order in uranium compounds	13
Quadratic magnetoelectric effect during field cooling in sputter grown Cr2	13
Statistical modeling of the effect of chemical inhomogeneity on incipient plasticity in complex concentrated alloys	13
Temperature-induced transformation between layered herringbone polymorphs in molecular bilayer organic semiconductors	13
Avalanche dynamics and the effect of straining in dislocation systems with quenched disorder	13
Origins of background signal effects in all-metallic non-local spin valves	13
Tailored pseudopotentials for magnesium surface core level shift calculations	13
Dielectric screening at TMD:hBN interfaces: Monolayer-to-bulk transition, local-field effect, and spatial dependence	13
Solid solution softening in single crystalline metal nanowires studied by atomistic simulations	13
Generalizability of functional forms for interatomic potential models discovered by symbolic regression	13
Mitigating amorphization in superhard boron carbide by microalloying-induced stacking fault formation	13
Charge density wave-templated spin cycloid in topological semimetal NdSbx	13
Influence of the octahedral cation on the evolution of lattice phonons in metal halide double perovskites: Raman spectroscopic investigation of 13
Polymorphous nature of the local structure of δ−B	13
Control of conductivity in Fe-rich cobalt-ferrite thin films with perpendicular magnetic anisotropy	13
Octahedral distortions in SrNbO3 : Unraveling the structure-property relatio	12
Ferromagnetic and ferroelectric 5d1 i	12
Dynamic interaction between dislocations and obstacles in bcc iron based on atomic potentials derived using neural networks	12
Transition metal elements as donor dopants in CdO	12
Stainless steel reveals an anomaly in thermal expansion behavior of severely deformed materials	12
Conduction via surface states in antiferromagnetic Mott-insulating NiS	12
Field-dependent nonelectronic contributions to thermal conductivity in a metallic ferromagnet with low Gilbert damping	12
Analytic elastic coefficients in molecular calculations: Finite strain, nonaffine displacements, and many-body interatomic potentials	12
Molecular dynamics of the early stages of high-temperature corrosion	12
Electroreflectance of Cu2(	12