Physical Review Materials

Article	Citations
Superconductivity in the Z2 kagome metal	272
Developing an improved crystal graph convolutional neural network framework for accelerated materials discovery	136
Predicting plasticity in disordered solids from structural indicators	106
Phase diagram of infinite layer praseodymium nickelate Pr1−	97
Synthesis and characterization of bulk Nd1−x	84
Coherent phonon spectroscopy and interlayer modulation of charge density wave order in the kagome metal CsV	78
A-type antiferromagnetic order in MnBi4Te7	75
Fermi level tuning and double-dome superconductivity in the kagome metal CsV3	73
Orbital graph convolutional neural network for material property prediction	64
Prediction of low-Z collinear and noncollinear antiferromagnetic compounds having momentum-dependent spin splitting even without spin-orbit coupling	62
Experimental observation of high intrinsic thermal conductivity of AlN	59
Evaluating optimal U for 3	55
Two-channel anomalous Hall effect in SrRuO3	53
Ferroelectricity in boron-substituted aluminum nitride thin films	53
Tuning magnetic order in the van der Waals metal Fe5GeTe	52
Anharmonicity measure for materials	44
Indentation-strain stiffening in tungsten nitrides: Mechanisms and implications	41
Estimating disorder and its adverse effects in semiconductor Majorana nanowires	41
Grain boundary energy effect on grain boundary segregation in an equiatomic high-entropy alloy	41
Native defects in antiferromagnetic topological insulator MnBi2	40
Structure-strength relations of distinct MoN phases from first-principles calculations	40
Tuning structural and electronic properties of two-dimensional aluminum monochalcogenides: Prediction of Janus Al<	39
Nodeless kagome superconductivity in LaRu3Si	37
Interplay of charge density wave and multiband superconductivity in layered quasi-two-dimensional materials: The case of 2	36
Doping-dependent character and possible magnetic ordering of NdNiO2	34

Elucidating the atomistic origin of anharmonicity in tetragonal CH3	34
Determining the Rashba parameter from the bilinear magnetoresistance response in a two-dimensional electron gas	34
Neural network atomic potential to investigate the dislocation dynamics in bcc iron	34
Yb3+ speciation a	32
Strong anisotropy in the mixed antiferromagnetic system Mn1−<	32
Machine learning for metallurgy II. A neural-network potential for magnesium	32
Strain and electric-field control of spin-spin interactions in monolayer CrI3	31
Machine learning for metallurgy I. A neural-network potential for Al-Cu	31
Performance comparison of r2SCAN and	30
MXenes atomic layer stacking phase transitions and their chemical activity consequences	30
Multistability of isolated and hydrogenated Ga–O divacancies in β−Ga	29
Stabilization of phase-pure rhombohedral HfZrO4	29
Highly sensitive spin-flop transition in antiferromagnetic van der Waals material MP	28
Orthorhombic-to-monoclinic transition in Ta2NiSe	28
Activating electrocatalytic hydrogen evolution performance of two-dimensional MSi	28
Valley relaxation of resident electrons and holes in a monolayer semiconductor: Dependence on carrier density and the role of substrate-induced disorder	28
Exploring diamondlike lattice thermal conductivity crystals via feature-based transfer learning	27
Coexistence of symmetry-enforced phononic Dirac nodal-line net and three-nodal surfaces phonons in solid-state materials: Theory and materials realization	27
Deep dive into machine learning density functional theory for materials science and chemistry	27
Unconventional spin Hall effects in nonmagnetic solids	27
CRYSPNet: Crystal structure predictions via neural networks	26
First-principles theory of intrinsic spin and orbital Hall and Nernst effects in metallic monoatomic crystals	26
Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations	26
Extending Shannon's ionic radii database using machine learning	26
Photoluminescence spectra of point defects in semiconductors: Validation of first-principles calculations	26
Inhomogeneous ferromagnetism mimics signatures of the topological Hall effect in SrRuO3	26
Characterization of room-temperature in-plane magnetization in thin flakes of CrTe	26
Insights into oxygen vacancies from high-throughput first-principles calculations	25
All-electron periodic G0W0	25
Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites	25
Parameter-free quantitative simulation of high-dose microstructure and hydrogen retention in ion-irradiated tungsten	25
Single pair of type-III Weyl points half-metals: BaNiIO6 as an exampl	25
Magneto-Seebeck microscopy of domain switching in collinear antiferromagnet CuMnAs	25
Gaussian approximation potentials for body-centered-cubic transition metals	25
Trilinear-coupling-driven ferroelectricity in HfO2	25
High-Curie-temperature ferromagnetism in bilayer CrI3	24
Electron spin resonance and ferromagnetic resonance spectroscopy in the high-field phase of the van der Waals magnet CrCl	24
Strength of effective Coulomb interaction in two-dimensional transition-metal halides MX	24
Spin-mediated charge-to-heat current conversion phenomena in ferromagnetic binary alloys	24
High oxygen pressure floating zone growth and crystal structure of the metallic nickelates R4	23
Zinc-blende group III-V/group IV epitaxy: Importance of the miscut	23
Phase stabilities ofMgCO3and23
Stability of charged sulfur vacancies in 2D and bulk MoS2 from plane-wave d	23
Tailoring magnetism in self-intercalated Cr1+	23
Efficient parametrization of the atomic cluster expansion	23
Carbon trimer as a 2 eV single-photon emitter candidate in hexagonal boron nitride: A first-principles study	23
Bright trion emission from semiconductor nanoplatelets	23
Structural, electronic, and magnetic properties of vanadium-based Janus dichalcogenide monolayers: A first-principles study	23
Stability and bonding nature of clathrate H cages in a near-room-temperature superconductor LaH10<	22
Short-range order in face-centered cubic VCoNi alloys	22

Two-dimensional bipolar ferromagnetic semiconductors from layered antiferromagnets	22
Tuning of electronic structure, magnetic phase, and transition temperature in two-dimensional Cr-based Janus MXenes	22
Magnetic and all-optical switching properties of amorphousTbx	22
Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W	22
Crystal growth and anisotropic magnetic properties of quasi-two-dimensional(Fe	22
Band structure of MoSTe Janus nanotubes	22
Theoretical exploration of mixed-anion antiperovskite semiconductors M3	22
Transversal flexoelectric coefficient for nanostructures at finite deformations from first principles	22
Primary intrinsic defects and their charge transition levels in β–Ga	21
L10 rare-earth-free permanent magnets:	21
Property and cation valence engineering in entropy-stabilized oxide thin films	21
Giant anisotropic magnetoresistance in oxygen-vacancy-ordered epitaxial La0.5<	21
Anharmonic host-lattice dynamics enable fast ion conduction in superionic AgI	21
Hexagonal-to-base-centered-orthorhombic 4Q charge density wave order in kag	21
Symmetry breaking and circular photogalvanic effect in epitaxial Cdx	21
Machine learning analysis of perovskite oxides grown by molecular beam epitaxy	21
Probing configurational disorder in ZnGeN2 using cluster-based Monte Carlo	21
Screening two-dimensional materials with topological flat bands	21
Simultaneous generation of direct- and indirect-gap photoluminescence in multilayer MoS2	20
Effects of band edge positions on defect structure in lead halide perovskites: A case study on the Br vacancy in Cs	20
Theory of tunable flux lattices in the homobilayer moiré of twisted and uniformly strained transition metal dichalcogenides	20
Vacancy-engineering-induced dislocation inclination in III-nitrides on Si substrates	20
Reduction of threading dislocation density beyond the saturation limit by optimized reverse grading	20
A room temperature polar magnetic metal	20
Coherent dynamics and mapping of excitons in single-layer MoSe2 and	20
Ferromagnetism in van der Waals compound MnSb1.8<	20
Lattice mode symmetry analysis of the orthorhombic phase of methylammonium lead iodide using polarized Raman	20
Application of machine learning potentials to predict grain boundary properties in fcc elemental metals	20
Missing theoretical evidence for conventional room-temperature superconductivity in low-enthalpy structures of carbonaceous sulfur hydrides	19
Anisotropic magnetic property of single crystals RV	19
Exploring the formation of intrinsic p -type and	19
Synthesis, characterization, and single-crystal growth of a high-entropy rare-earth pyrochlore oxide	19
Validity of magnetotransport detection of skyrmions in epitaxial SrRuO3 het	19
Stability and residual stresses of sputtered wurtzite AlScN thin films	19
Topological insulator interfaced with ferromagnetic insulators: B	19
Single crystal growth of superconducting UTe2 by molten salt flux method	19
Electrical switching of valley polarization in monolayer semiconductors	19
Angular-dependent interatomic potential for large-scale atomistic simulation of iron: Development and comprehensive comparison with existing interatomic models	19
Efficient p -type doping of sputter-deposited NiO thin films with Li, Ag, and Cu acceptors	19
Material realization of double-Weyl phonons and phononic double-helicoid surface arcs with P2	19
Electron-phonon coupling superconductivity in two-dimensional orthorhombic M	19
Ferroelectric domain architecture and poling of BaTiO3 on Si	19
Active terahertz spin state and optical chirality in liquid crystal chiral metasurface	19
Finite-temperature materials modeling from the quantum nuclei to the hot electron regime	19
Highly anisotropic magnetism in the vanadium-based kagome metal TbV6	19
Anomalous Hall and Nernst effects in epitaxial films of topological kagome magnet Fe3	18
Working principles of doping-well structures for high-mobility two-dimensional electron systems	18
Tuning the rheological behavior of colloidal gels through competing interactions	18
Intrinsic ferromagnetism and restrictive thermodynamic stability in MA2	18
Phase competition and negative piezoelectricity in interlayer-sliding ferroelectric Zr	18
Symmetry-enforced band crossings in tetragonal materials: Dirac and Weyl degeneracies on points, lines, and planes	18
Unexpected crystalline homogeneity from the disordered bond network in La(	18
Temperature-dependent Raman scattering and x-ray diffraction study of phase transitions in layered multiferroic CuCr	18
Improved Al-Mg alloy surface segregation predictions with a machine learning atomistic potential	18
Role of fluoride and fluorocarbons in enhanced stability and performance of halide perovskites for photovoltaics	18
High-temperature multigap superconductivity in two-dimensional metal borides	18
Novel self-epitaxy for inducing superconductivity in the topological insulator (Bi	17
Multiscale analysis of dislocation loops and voids in tungsten	17
Order-disorder versus displacive transitions in Jahn-Teller active layered materials	17
Machine learning for metallurgy III: A neural network potential for Al-Mg-Si	17
Electronic and magnetic properties of intermetallic kagome magnets RV	17
Tuning the flat bands of the kagome metal CoSn with Fe, In, or Ni doping	17
Origin of the hump anomalies in the Hall resistance loops of ultrathin SrRuO3	17
Quasi-two-dimensional superconductivity in SnSe2<	17
Large topological Hall effect near room temperature in noncollinear ferromagnet LaMn	17
Constructive and destructive interference of Kerker-type scattering in an ultrathin silicon Huygens metasurface	17
Quantitatively consistent scale-spanning model for same-material tribocharging	17
Structural evolution and skyrmionic phase diagram of the lacunar spinel GaMo4	17
Pressure tuning of the anomalous Hall effect in the chiral antiferromagnet Mn3	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
α−β phase transition of zirconium predicted by on-the-fly machine-learned	17
Hybrid nodal-ring phonons with hourglass dispersion in AgAlO2	17
Phase transition and domain formation in ferroaxial crystals	17
Photonic Chern insulators made of gyromagnetic hyperbolic metamaterials	17
Tuned and screened range-separated hybrid density functional theory for describing electronic and optical properties of defective gallium nitride	17
Atomic processes of shear-coupled migration in {112} twins	17
Role of magnetic ordering for the design of quinary TWIP-TRIP high entropy alloys	17
Epitaxial engineering of flat silver fluoride cuprate analogs	17
Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations	17
Magnetic compensation at two different composition ratios in rare-earth-free Mn4	17

First-principles calculation of shift current in chalcopyrite semiconductor ZnSnP2	16
Phase diagram and stability of mixed-cation lead iodide perovskites: A theory and experiment combined study	16
Efficient strain-induced light emission in lonsdaleite germanium	16
Gate-tunable quantum anomalous Hall effects in MnBi2	16
Efficient estimation of material property curves and surfaces via active learning	16
Growth, characterization, and Chern insulator state in MnBi2	16
Barriers to carrier transport in multiple quantum well nitride-based c -plane green light emitting diodes	16
Thermo-optic nonlinearity of single metal nanoparticles under intense continuous wave illumination	16
Adsorption-controlled growth of MnTe(Bi2	16
Structural evolution of the kagome superconductors AV3	16
Selective area epitaxy of PbTe-Pb hybrid nanowires on a lattice-matched substrate	16
Efficient thermoelectricity in Sr2Nb2	16
Thermodynamics of carbon point defects in hexagonal boron nitride	16
Bridging particle deformability and collective response in soft solids	16
Canted antiferromagnetic order in the monoaxial chiral magnets V1<	16
Atomistic modeling of Li- and post-Li-ion batteries	16
Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods	16
Built-in electric field and strain tunable valley-related multiple topological phase transitions in VSi<	16
Anisotropic physical properties and large critical current density in KCa	16
Magnetic and electronic properties of a topological nodal line semimetal candidate: HoSbTe	16
Plasmon coupling in topological insulator multilayers	16
Tuneable correlated disorder in alloys	16
Imaging the spin chirality of ferrimagnetic Néel skyrmions stabilized on topological antiferromagnetic Mn	16
Polymorphic PtBi2 : Growth, structure, and superconducting properties	16
Coupling and decoupling of spin crossover and ferroelastic distortion: Unsymmetric hysteresis loop, phase diagram, and sequence of phases	15
Magnetic-field-induced topological phase transition in Fe-doped (Bi<	15
Violation of the Wiedemann-Franz law through reduction of thermal conductivity in gold thin films	15
Intrinsic defects in primary halide perovskites: A first-principles study of the thermodynamic trends	15
Photoluminescent properties of the carbon-dimer defect in hexagonal boron-nitride: A many-body finite-size cluster approach	15
Two-dimensional MSi2N	15
Role of chemical disorder and local ordering on defect evolution in high-entropy alloys	15
Plasmonics in argentene	15
Hydrogen tunes magnetic anisotropy by affecting local hybridization at the interface of a ferromagnet with nonmagnetic metals	15
Density functional modeling and total scattering analysis of the atomic structure of a quaternaryCaO−	15
Large anomalous Nernst and inverse spin-Hall effects in epitaxial thin films of kagome semimetal Mn	15
Discovery of highly polarizable semiconductors BaZrS3	15
Ternary pentagonal BNSi monolayer: Two-dimensional structure with potentially high carrier mobility and strong excitonic effects for photocatalytic applications	15
Ferromagnetism and half-metallicity in two-dimensional MO	15
Rydberg excitons in synthetic cuprous oxide Cu2O<	15
Symmetry-enforced topological band crossings in orthorhombic crystals: Classification and materials discovery	15
Tuning of spin-orbit coupling in metal-free conjugated polymers by structural conformation	15
Penta carbides: Two-dimensional group-IV semiconductors containing C2	15
Insights into the atomic structure of the interface of ferroelectric Hf0.5	15
Biomimetic hierarchical micro/nano texturing of TiAlV alloys by femtosecond laser processing for the control of cell adhesion and migration	15
Nickel vacancy acceptor in nickel oxide: Doping beyond thermodynamic equilibrium	15
Atomistic mechanism for vacancy-enhanced grain boundary migration	15
Structural, electronic, and magnetic properties of nearly ideal Jef	15
Optical properties ofCsCu2X	15
Prediction of Li intercalation voltages in rechargeable battery cathode materials: Effects of exchange-correlation functional, van der Waals interactions, and Hubbard 15
Valley-dependent properties in two-dimensional Cr2COF	14
Complete phase diagram of Sr1–x	14
Unveiling the spin-to-charge current conversion signal in the topological insulator Bi2<	14
Strong antiferromagnetic interaction owing to a large trigonal distortion in the spin-orbit-coupled honeycomb lattice iridate	14
Modeling the Ga/As binary system across temperatures and compositions from first principles	14
Anisotropy-induced spin reorientation in chemically modulated amorphous ferrimagnetic films	14
Switchable two-dimensional electron gas based on ferroelectric Ca: SrTiO	14
LDA+Usc	14
Intersecting topological nodal ring and nodal wall states in superhard superconductor FeB4	14
Classification and materials realization of topologically robust nodal ring phonons	14
Magnetoionic control of perpendicular exchange bias	14
Growth and stability of Pb intercalated phases under graphene on SiC	14
Enhanced superconductivity in the Se-substituted 1T- PdTe2	14
Orbital effect and weak localization in the longitudinal magnetoresistance of Weyl semimetals NbP, NbAs, TaP, and TaAs	14
First-principles investigation of intrinsic point defects in perovskite CsSnBr3	14
Manifestation of the thermoelectric properties in Ge-based halide perovskites	14
Towards skyrmion-superconductor hybrid systems	14
Development of a general-purpose machine-learning interatomic potential for aluminum by the physically informed neural network method	14
Correlations tune the electronic structure of pentalayer nickelates into the superconducting regime	14
Topological surface states of MnBi2Te	14
Nucleation control and interface structure of rocksalt PbSe on (001) zincblende III-V surfaces	14
Disorder effects of vacancies on the electronic transport properties of realistic topological insulator nanoribbons: The case of bismuthene	14
Interfacial charge transfer and interaction in the MXene/Ti<	14
Transition from metal to semiconductor by semi-hydrogenation of borophene	14
Computational design of f -electron Kitaev magnets: Honeycomb and hyperhoneycomb compounds 14
Superconductivity in the nonsymmorphic line-nodal compound CaSb2	14
MoTe2 as a natural hyperbolic material	14
Observation of multiple nodal lines in SmSbTe	14
Flat bands, electron interactions, and magnetic order in magic-angle mono-trilayer graphene	14
Cross-sectional scanning tunneling microscopy of InAs/GaAs(001) submonolayer quantum dots	14
Quantum anomalous Hall and valley quantum anomalous Hall effects in two-dimensional d0<	14
Strain-induced majority carrier inversion in ferromagnetic epitaxial LaCoO	14
Quantitative comparison of electrically induced spin and orbital polarizations in heavy-metal/ 3d	14
Energy gap tuning and gate-controlled topological phase transition in InAs/	13
Photoluminescence dynamics in few-layer InSe	13
Monolayer 2D semiconducting tellurides for high-mobility electronics	13
Epitaxial titanium nitride microwave resonators: Structural, chemical, electrical, and microwave properties	13
Site-specific structure at multiple length scales in kagome quantum spin liquid candidates	13
Coupling of organic cation and inorganic lattice in methylammonium lead halide perovskites: Insights into a pressure-induced isostructural phase transition	13
Comparison of different methods of nitrogen-vacancy layer formation in diamond for wide-field quantum microscopy	13
Electronic structure of a borophene layer in rare-earth aluminum/chromium boride and its hydrogenated derivative borophane	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
Geometric effects in the infinite-layer nickelates	13
B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys	13
Impact of synthetic conditions on the anisotropic thermal conductivity of poly(3,4-ethylenedioxythiophene) (PEDOT): A molecular dynamics investigation	13