Physical Review Materials

Article	Citations
Superconductivity in the Z2 kagome metal	281
Developing an improved crystal graph convolutional neural network framework for accelerated materials discovery	146
Predicting plasticity in disordered solids from structural indicators	107
Phase diagram of infinite layer praseodymium nickelate Pr1−	99
Synthesis and characterization of bulk Nd1−x	87
Coherent phonon spectroscopy and interlayer modulation of charge density wave order in the kagome metal CsV	80
A-type antiferromagnetic order in MnBi4Te7	77
Fermi level tuning and double-dome superconductivity in the kagome metal CsV3	76
Prediction of low-Z collinear and noncollinear antiferromagnetic compounds having momentum-dependent spin splitting even without spin-orbit coupling	72
Orbital graph convolutional neural network for material property prediction	70
Ferroelectricity in boron-substituted aluminum nitride thin films	58
Tuning magnetic order in the van der Waals metal Fe5GeTe	54
Two-channel anomalous Hall effect in SrRuO3	53
Anharmonicity measure for materials	45
Estimating disorder and its adverse effects in semiconductor Majorana nanowires	44
Grain boundary energy effect on grain boundary segregation in an equiatomic high-entropy alloy	43
Native defects in antiferromagnetic topological insulator MnBi2	42
Tuning structural and electronic properties of two-dimensional aluminum monochalcogenides: Prediction of Janus Al<	40
Nodeless kagome superconductivity in LaRu3Si	38
Determining the Rashba parameter from the bilinear magnetoresistance response in a two-dimensional electron gas	37
Doping-dependent character and possible magnetic ordering of NdNiO2	37
Machine learning for metallurgy I. A neural-network potential for Al-Cu	36
Interplay of charge density wave and multiband superconductivity in layered quasi-two-dimensional materials: The case of 2	36
Deep dive into machine learning density functional theory for materials science and chemistry	35
Yb3+ speciation a	35

Elucidating the atomistic origin of anharmonicity in tetragonal CH3	34
Strain and electric-field control of spin-spin interactions in monolayer CrI3	32
Machine learning for metallurgy II. A neural-network potential for magnesium	32
Performance comparison of r2SCAN and	32
Multistability of isolated and hydrogenated Ga–O divacancies in β−Ga	31
MXenes atomic layer stacking phase transitions and their chemical activity consequences	31
Orthorhombic-to-monoclinic transition in Ta2NiSe	30
Highly sensitive spin-flop transition in antiferromagnetic van der Waals material MP	30
Activating electrocatalytic hydrogen evolution performance of two-dimensional MSi	30
Valley relaxation of resident electrons and holes in a monolayer semiconductor: Dependence on carrier density and the role of substrate-induced disorder	29
First-principles theory of intrinsic spin and orbital Hall and Nernst effects in metallic monoatomic crystals	29
Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations	29
Extending Shannon's ionic radii database using machine learning	28
Exploring diamondlike lattice thermal conductivity crystals via feature-based transfer learning	28
Unconventional spin Hall effects in nonmagnetic solids	28
Coexistence of symmetry-enforced phononic Dirac nodal-line net and three-nodal surfaces phonons in solid-state materials: Theory and materials realization	28
CRYSPNet: Crystal structure predictions via neural networks	27
Photoluminescence spectra of point defects in semiconductors: Validation of first-principles calculations	27
High oxygen pressure floating zone growth and crystal structure of the metallic nickelates R4	27
Insights into oxygen vacancies from high-throughput first-principles calculations	27
Inhomogeneous ferromagnetism mimics signatures of the topological Hall effect in SrRuO3	27
Stability of charged sulfur vacancies in 2D and bulk MoS2 from plane-wave d	26
Phase stabilities ofMgCO3and26
Characterization of room-temperature in-plane magnetization in thin flakes of CrTe	26
All-electron periodic G0W0	26
Strength of effective Coulomb interaction in two-dimensional transition-metal halides MX	26
Screening two-dimensional materials with topological flat bands	26
Tailoring magnetism in self-intercalated Cr1+	25
Magneto-Seebeck microscopy of domain switching in collinear antiferromagnet CuMnAs	25
Single pair of type-III Weyl points half-metals: BaNiIO6 as an exampl	25
Tuning of electronic structure, magnetic phase, and transition temperature in two-dimensional Cr-based Janus MXenes	25
Carbon trimer as a 2 eV single-photon emitter candidate in hexagonal boron nitride: A first-principles study	25
Gaussian approximation potentials for body-centered-cubic transition metals	25
Trilinear-coupling-driven ferroelectricity in HfO2	25
Stability and bonding nature of clathrate H cages in a near-room-temperature superconductor LaH10<	25
Single crystal growth of superconducting UTe2 by molten salt flux method	25
Parameter-free quantitative simulation of high-dose microstructure and hydrogen retention in ion-irradiated tungsten	25
Electron spin resonance and ferromagnetic resonance spectroscopy in the high-field phase of the van der Waals magnet CrCl	25
Bright trion emission from semiconductor nanoplatelets	24
Efficient parametrization of the atomic cluster expansion	24
Zinc-blende group III-V/group IV epitaxy: Importance of the miscut	24
Band structure of MoSTe Janus nanotubes	24
High-Curie-temperature ferromagnetism in bilayer CrI3	24
Transversal flexoelectric coefficient for nanostructures at finite deformations from first principles	23
Crystal growth and anisotropic magnetic properties of quasi-two-dimensional(Fe	23
Machine learning analysis of perovskite oxides grown by molecular beam epitaxy	23
Short-range order in face-centered cubic VCoNi alloys	23
Hexagonal-to-base-centered-orthorhombic 4Q charge density wave order in kag	23
α−β phase transition of zirconium predicted by on-the-fly machine-learned	23
Magnetic and all-optical switching properties of amorphousTbx	23

Temperature-dependent Raman scattering and x-ray diffraction study of phase transitions in layered multiferroic CuCr	23
Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W	23
Structural, electronic, and magnetic properties of vanadium-based Janus dichalcogenide monolayers: A first-principles study	23
Theory of tunable flux lattices in the homobilayer moiré of twisted and uniformly strained transition metal dichalcogenides	23
Application of machine learning potentials to predict grain boundary properties in fcc elemental metals	23
Electron-phonon coupling superconductivity in two-dimensional orthorhombic M	22
Property and cation valence engineering in entropy-stabilized oxide thin films	22
Giant anisotropic magnetoresistance in oxygen-vacancy-ordered epitaxial La0.5<	22
A room temperature polar magnetic metal	22
Anomalous Hall and Nernst effects in epitaxial films of topological kagome magnet Fe3	22
Probing configurational disorder in ZnGeN2 using cluster-based Monte Carlo	22
Primary intrinsic defects and their charge transition levels in β–Ga	22
Anharmonic host-lattice dynamics enable fast ion conduction in superionic AgI	22
L10 rare-earth-free permanent magnets:	22
Two-dimensional bipolar ferromagnetic semiconductors from layered antiferromagnets	22
Stability and residual stresses of sputtered wurtzite AlScN thin films	21
Angular-dependent interatomic potential for large-scale atomistic simulation of iron: Development and comprehensive comparison with existing interatomic models	21
Highly anisotropic magnetism in the vanadium-based kagome metal TbV6	21
High-temperature multigap superconductivity in two-dimensional metal borides	21
Reduction of threading dislocation density beyond the saturation limit by optimized reverse grading	21
Exploring the formation of intrinsic p -type and	21
Built-in electric field and strain tunable valley-related multiple topological phase transitions in VSi<	21
Effects of band edge positions on defect structure in lead halide perovskites: A case study on the Br vacancy in Cs	20
Atomistic modeling of Li- and post-Li-ion batteries	20
Vacancy-engineering-induced dislocation inclination in III-nitrides on Si substrates	20
Simultaneous generation of direct- and indirect-gap photoluminescence in multilayer MoS2	20
Intrinsic ferromagnetism and restrictive thermodynamic stability in MA2	20
Anisotropic magnetic property of single crystals RV	20
Synthesis, characterization, and single-crystal growth of a high-entropy rare-earth pyrochlore oxide	20
Efficient p -type doping of sputter-deposited NiO thin films with Li, Ag, and Cu acceptors	20
Role of fluoride and fluorocarbons in enhanced stability and performance of halide perovskites for photovoltaics	20
Lattice mode symmetry analysis of the orthorhombic phase of methylammonium lead iodide using polarized Raman	20
Quantitatively consistent scale-spanning model for same-material tribocharging	20
Ferromagnetism in van der Waals compound MnSb1.8<	20
Finite-temperature materials modeling from the quantum nuclei to the hot electron regime	20
Material realization of double-Weyl phonons and phononic double-helicoid surface arcs with P2	19
Thermodynamics of carbon point defects in hexagonal boron nitride	19
Structural evolution and skyrmionic phase diagram of the lacunar spinel GaMo4	19
Two-dimensional MSi2N	19
Validity of magnetotransport detection of skyrmions in epitaxial SrRuO3 het	19
Missing theoretical evidence for conventional room-temperature superconductivity in low-enthalpy structures of carbonaceous sulfur hydrides	19
Electrical switching of valley polarization in monolayer semiconductors	19
Active terahertz spin state and optical chirality in liquid crystal chiral metasurface	19
Electronic and magnetic properties of intermetallic kagome magnets RV	19
Topological insulator interfaced with ferromagnetic insulators: B	19
Phase competition and negative piezoelectricity in interlayer-sliding ferroelectric Zr	19
Symmetry-enforced band crossings in tetragonal materials: Dirac and Weyl degeneracies on points, lines, and planes	19
Epitaxial engineering of flat silver fluoride cuprate analogs	19
Improved Al-Mg alloy surface segregation predictions with a machine learning atomistic potential	18
Structural evolution of the kagome superconductors AV3	18
Selective area epitaxy of PbTe-Pb hybrid nanowires on a lattice-matched substrate	18
Pressure tuning of the anomalous Hall effect in the chiral antiferromagnet Mn3	18
Phase diagram and stability of mixed-cation lead iodide perovskites: A theory and experiment combined study	18
Unexpected crystalline homogeneity from the disordered bond network in La(	18
Hybrid nodal-ring phonons with hourglass dispersion in AgAlO2	18
Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations	18
Large topological Hall effect near room temperature in noncollinear ferromagnet LaMn	18
Gate-tunable quantum anomalous Hall effects in MnBi2	17
Multiscale analysis of dislocation loops and voids in tungsten	17
Tuning charge density wave order and superconductivity in the kagome metals KV3	17
Plasmon coupling in topological insulator multilayers	17
Atomic processes of shear-coupled migration in {112} twins	17
Ab initio screening of metallic MAX ceramics for advanced interconnect applications	17
Origin of the hump anomalies in the Hall resistance loops of ultrathin SrRuO3	17
Quasi-two-dimensional superconductivity in SnSe2<	17
Magnetic and electronic properties of a topological nodal line semimetal candidate: HoSbTe	17
Novel self-epitaxy for inducing superconductivity in the topological insulator (Bi	17
Constructive and destructive interference of Kerker-type scattering in an ultrathin silicon Huygens metasurface	17
Photoluminescent properties of the carbon-dimer defect in hexagonal boron-nitride: A many-body finite-size cluster approach	17
Tuned and screened range-separated hybrid density functional theory for describing electronic and optical properties of defective gallium nitride	17
Quantum anomalous Hall and valley quantum anomalous Hall effects in two-dimensional d0<	17
Direct observation of local chemical ordering in a few nanometer range in CoCrNi medium-entropy alloy by atom probe tomography and its impact on mechanical properties	17
Tuning the flat bands of the kagome metal CoSn with Fe, In, or Ni doping	17
Magnetic compensation at two different composition ratios in rare-earth-free Mn4	17
Phase transition and domain formation in ferroaxial crystals	17
Photonic Chern insulators made of gyromagnetic hyperbolic metamaterials	17
Barriers to carrier transport in multiple quantum well nitride-based c -plane green light emitting diodes	17
Bridging particle deformability and collective response in soft solids	17
Growth, characterization, and Chern insulator state in MnBi2	17
Rydberg excitons in synthetic cuprous oxide Cu2O<	17

Machine learning for metallurgy III: A neural network potential for Al-Mg-Si	17
Tuning of spin-orbit coupling in metal-free conjugated polymers by structural conformation	17
Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods	16
Efficient strain-induced light emission in lonsdaleite germanium	16
Plasmonics in argentene	16
Stabilization of the epitaxial rhombohedral ferroelectric phase in ZrO2 by	16
Intrinsic defects in primary halide perovskites: A first-principles study of the thermodynamic trends	16
Tuneable correlated disorder in alloys	16
Structural, electronic, and magnetic properties of nearly ideal Jef	16
Intersecting topological nodal ring and nodal wall states in superhard superconductor FeB4	16
Symmetry-enforced topological band crossings in orthorhombic crystals: Classification and materials discovery	16
Efficient thermoelectricity in Sr2Nb2	16
Anisotropic physical properties and large critical current density in KCa	16
First-principles calculation of shift current in chalcopyrite semiconductor ZnSnP2	16
Canted antiferromagnetic order in the monoaxial chiral magnets V1<	16
Efficient estimation of material property curves and surfaces via active learning	16
Correlations tune the electronic structure of pentalayer nickelates into the superconducting regime	16
Topological surface states of MnBi2Te	16
Role of chemical disorder and local ordering on defect evolution in high-entropy alloys	16
Magnetoionic control of perpendicular exchange bias	16
Thermo-optic nonlinearity of single metal nanoparticles under intense continuous wave illumination	16
Imaging the spin chirality of ferrimagnetic Néel skyrmions stabilized on topological antiferromagnetic Mn	16
Prediction of Li intercalation voltages in rechargeable battery cathode materials: Effects of exchange-correlation functional, van der Waals interactions, and Hubbard 16
Large anomalous Nernst and inverse spin-Hall effects in epitaxial thin films of kagome semimetal Mn	16
Violation of the Wiedemann-Franz law through reduction of thermal conductivity in gold thin films	16
Adsorption-controlled growth of MnTe(Bi2	16
Polymorphic PtBi2 : Growth, structure, and superconducting properties	16
Optical properties ofCsCu2X	16
Penta carbides: Two-dimensional group-IV semiconductors containing C2	16
Density functional modeling and total scattering analysis of the atomic structure of a quaternaryCaO−	15
Biomimetic hierarchical micro/nano texturing of TiAlV alloys by femtosecond laser processing for the control of cell adhesion and migration	15
Towards skyrmion-superconductor hybrid systems	15
Ternary pentagonal BNSi monolayer: Two-dimensional structure with potentially high carrier mobility and strong excitonic effects for photocatalytic applications	15
Classification and materials realization of topologically robust nodal ring phonons	15
Valley-dependent properties in two-dimensional Cr2COF	15
First-principles investigation of intrinsic point defects in perovskite CsSnBr3	15
Discovery of highly polarizable semiconductors BaZrS3	15
Observation of multiple nodal lines in SmSbTe	15
Development of a general-purpose machine-learning interatomic potential for aluminum by the physically informed neural network method	15
Hydrogen tunes magnetic anisotropy by affecting local hybridization at the interface of a ferromagnet with nonmagnetic metals	15
Growth and stability of Pb intercalated phases under graphene on SiC	15
Coupling and decoupling of spin crossover and ferroelastic distortion: Unsymmetric hysteresis loop, phase diagram, and sequence of phases	15
Insights into the atomic structure of the interface of ferroelectric Hf0.5	15
MoTe2 as a natural hyperbolic material	15
Role of disorder in the synthesis of metastable zinc zirconium nitrides	15
Ferromagnetism and half-metallicity in two-dimensional MO	15
Transition from metal to semiconductor by semi-hydrogenation of borophene	15
Flat bands, electron interactions, and magnetic order in magic-angle mono-trilayer graphene	14
Geometric effects in the infinite-layer nickelates	14
Disorder effects of vacancies on the electronic transport properties of realistic topological insulator nanoribbons: The case of bismuthene	14
Energy gap tuning and gate-controlled topological phase transition in InAs/	14
Nonuniversal structure of point defects in face-centered cubic metals	14
Enhanced superconductivity in the Se-substituted 1T- PdTe2	14
Complete phase diagram of Sr1–x	14
Influence of the A-site cation on hysteresis and ion migration in lead-free perovskite single crystals	14
Band gap, effective masses, and energy level alignment of 2D and 3D halide perovskites and heterostructures using DFT-1/2	14
Multiferroic properties of oxygen-functionalized magnetic i-MXene	14
Cross-sectional scanning tunneling microscopy of InAs/GaAs(001) submonolayer quantum dots	14
Electronic structure of a borophene layer in rare-earth aluminum/chromium boride and its hydrogenated derivative borophane	14
Metamagnetism of few-layer topological antiferromagnets	14
Site-specific structure at multiple length scales in kagome quantum spin liquid candidates	14
Spirals and skyrmions in antiferromagnetic triangular lattices	14
Local nuclear and magnetic order in the two-dimensional spin glass Mn0.5	14
Computational design of f -electron Kitaev magnets: Honeycomb and hyperhoneycomb compounds 14
Modeling the Ga/As binary system across temperatures and compositions from first principles	14
Manifestation of the thermoelectric properties in Ge-based halide perovskites	14
Anisotropy-induced spin reorientation in chemically modulated amorphous ferrimagnetic films	14
LDA+Usc	14
Epitaxial titanium nitride microwave resonators: Structural, chemical, electrical, and microwave properties	14
Quantitative comparison of electrically induced spin and orbital polarizations in heavy-metal/ 3d	14
Charge-spin interconversion in epitaxial Pt probed by spin-orbit torques in a magnetic insulator	14
Unveiling the spin-to-charge current conversion signal in the topological insulator Bi2<	14
First-principles ionized-impurity scattering and charge transport in doped materials	14
Polar metals taxonomy for materials classification and discovery	14
Determination of the optical bandgap of the Bernal and rhombohedral boron nitride polymorphs	14
Spin-flip-driven giant magnetotransport in A-type antiferromagnet NaCrTe2	13
Real-time observation of twinning-detwinning in shock-compressed magnesium via time-resolved in situ synchrotron XRD experiments	13
Comparison of different methods of nitrogen-vacancy layer formation in diamond for wide-field quantum microscopy	13
Ionic liquid dynamics in nanoporous carbon: A pore-size- and temperature-dependent neutron spectroscopy study on supercapacitor materials	13
Atomic structure and origin of chirality of DNA-stabilized silver clusters	13
Interfacial charge transfer and interaction in the MXene/Ti<	13
Incommensurate magnetic orders and topological Hall effect in the square-net centrosymmetric EuGa	13
Control of magnetic properties in ferrimagnetic GdFe and TbFe thin films by He+	13
Origin of micrometer-scale propagation lengths of heat-carrying acoustic excitations in amorphous silicon	13
Monolayer 2D semiconducting tellurides for high-mobility electronics	13
Unveiling the atomic-scale origins of high damage tolerance of single-crystal high entropy alloys	13
Coupling of organic cation and inorganic lattice in methylammonium lead halide perovskites: Insights into a pressure-induced isostructural phase transition	13
Effect of Ag incorporation on structure and optoelectronic properties of (13
Optical and magneto-optical properties of ferromagnetic monolayer CrBr3 : A	13
Dy adsorption on and intercalation under graphene on 6 H -SiC(0001) surface from first-principles calculations	13
B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys	13
Origin of mechanical and dielectric losses from two-level systems in amorphous silicon	13
Perfect in-plane CrI3 spin-valve driven by photogalvanic effect	13
Effect of intrinsic point defects on the catalytic and electronic properties of Cu2	13
First-principles calculations of defects in metal halide perovskites: A performance comparison of density functionals	13