Journal of Physics-Condensed Matter

Article	Citations
Exact diagonalization for a 16-site spin-1/2 pyrochlore cluster	479
Machine learning assisted crystallographic reconstruction from atom probe tomographic images	427
Phase transition of DNA knotting in spherical space	131
Transformation from antiferromagnetic target skyrmion to antiferromagnetic skyrmion by unzipping process through a confined nanostructure	131
Exploring a low temperature glassy state, exchange bias effect, and high magnetic anisotropy in Co2C nanoparticles	119
Determination of the preferred reaction pathway of acetophenone on Si(001) using photoelectron diffraction	118
Strain-relaxation induced transverse resistivity anomaly in epitaxial films through lithography engineering	107
Surface acoustic wave assisted depinning of magnetic domain walls	77
Electron and hole capture processes in Cu-doped glass exhibiting radiophotoluminescence	76
DFT-1/2 method applied to 3D topological insulators	75
Effect of electron- and hole-doping on properties of kagomé-lattice ferromagnet Fe3Sn2	72
Pressure and doping effects on the structural stability of thermoelectric BaAg2Te2	72
Variations in the thermal conductivity of magnetosensitive elastomers by magnetically induced internal restructuring	69
Non-adiabatic dynamics of the entanglement entropy in a symmetry-breaking Haldane insulator	67
Optical phonon contribution to the thermal conductivity of a quantum paraelectric	64
Glasses and gels: a crossroad of molecular liquids, polymers and colloids	62
Role of rare-earth metals (R) in the appearance of relaxation processes in AL–Ni–R metal melts	58
Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in gasoline particulate filters and the effect of the manufacturing process on the catalytic activity	55
Viscosity of Al–Ni–Co–Nd(Sm) glass-forming melts at high temperatures	51
Topological tight binding models on some non-trivial lattices: union of geometry, flat bands and topology	49
Insights into the compositional and temperature-mediated magnetic characteristics of chromium-doped ZnO nanoparticles	47
Electrochemical adsorption of hydrogen on mixed Pd2Pt nanostructures	45
Floquet topological properties in the non-Hermitian long-range system with complex hopping amplitudes	44
Pressure-induced structural transitions between successional superconducting phases in GeTe	43
Study on the phase transition dynamics of HfO2-based ferroelectric films under ultrafast electric pulse	42

Intrinsic ferroelectricity and large bulk photovoltaic effect in novel two-dimensional buckled honeycomb-like lattice of NbP: first-principles study	42
Analytical solutions for the magnon frequencies at high-symmetry points of the Brillouin zone in anisotropic kagome antiferromagnets	41
Quantum theory of the spin dynamics excited by ultrashort THz laser pulses in rare earth antiferromagnets. DyFeO3	40
Making high-quality quantum microwave devices with van der Waals superconductors	39
Ionic liquids in conducting nanoslits: how important is the range of the screened electrostatic interactions?	38
Multiphoton-pumped UV-Vis transient absorption spectroscopy of 2D materials: basic concepts and recent applications	36
The role of dimensionality and geometry in quench-induced nonequilibrium forces	35
Scaling and universality at ramped quench dynamical quantum phase transitions	34
Numerical package for QFT calculations of defect-induced phenomena in graphene	33
Polarized neutron scattering studies of magnetic excitations in iron-selenide superconductor Li0.8Fe0.2ODFeSe (T c = 41 K)	33
Electronic and magnetic properties of layered M3Si2Te6 (M = alkaline earth and transition metals)	32
Chain dynamics of alternating polymers P(C n EG4)	31
Recent progress on topological semimetal IrO2: electronic structures, synthesis, and transport properties	31
Re-emerging magnetic order in correlated van der Waals antiferromagnet NiPS3	29
Enhanced electron–phonon coupling near an electronic quantum phase transition	29
Predicted the structural diversity and electronic properties of Pt−N compounds under high pressure	29
Unpredictable condensate–depletion dynamics in one-dimensional power-law traps	29
Mixed stochastic-deterministic time-dependent density functional theory: application to stopping power of warm dense carbon	28
Structural origins of the unusual thermal stability of amorphous Cu x Ge50−x Te50 (0 ⩽ x ⩽	28
Thermodynamics and phase stability of Li8 XO6 octalithium ceramic breeder materials (X = Pb, Ce, Ge, Zr, Sn)	27
Temperature effects on the conductance, spin-valley polarization and tunneling magnetoresistance of single magnetic silicene junctions	27
Ginzburg–Landau surface energy of multiband superconductors: derivation and application to selected systems	27
ScGAN: a generative adversarial network to predict hypothetical superconductors	27
Exploring magnetic disorder in inverted core-shell nanoparticles: the role of surface anisotropy and core/shell coupling	26
Phase transitions and properties of lanthanum under high pressures	26
Disorder enhanced dynamical heterogeneity in strain glass alloys	26
Effect of reaction path on high-pressure synthesis and stability of ruthenium hydrides	26
Effect of the Rashba interaction on the tunneling time and Hartman effect in an 8-Pmmn borophene superlattice	25
Reducing phase transition temperature of vanadium dioxide by ascorbic acid	24
Knotting behaviour of polymer chains in the melt state for soft-core models with and without slip-springs	23
Existence of density inhomogeneity of liquid Te associated with liquid–liquid phase transition	23
Understanding the role of Niobium, Molybdenum and Tungsten in realizing of the transparent n-type SnO2	23
Synergistic effects of Mg doping on TiO2 for improved toxic gas sensing performance at room temperature	23
Exact mobility edges in quasiperiodic systems without self-duality	23
Releasing antiferromagnetic skyrmions from local magnetic-anisotropy defects	22
Spin-transfer and spin-orbit torques in the Landau–Lifshitz–Gilbert equation	22
Circular dichroism in two-dimensional BC6N and B3C2N3 in absence of intervalley excitonic coupling	22
Structural phase transition driven dielectric and optical properties with reduction in band gap in Sr2+ modified BaTiO3 ceramics	22
Tunneling magnetoresistance and spin-valley polarization of aperiodic magnetic silicene superlattices	21
Impurity effects on the zeroth pseudo-Landau level in twisted bilayer graphene	21
Galvanic stabilization of Zn metals for long-life aqueous batteries	21
Growing MASnI3 perovskite single-crystal films by inverse temperature crystallization	21
Structure and energetics of FeO/Fe(001) interfaces	20
Giant magnetoresistance and topological Hall effect in the EuGa4 antiferromagnet	20
Unconventional superconductivity in UTe2	20
Understanding magnetocrystalline anisotropy based on orbital and quadrupole moments	20
Atomic and electronic structure of vicinal Ag(977) surface	20
Simultaneous pseudospin and valley topological edge states of elastic waves in phononic crystals made of distorted Kekulé lattices	20
The effect of substitutional doping of Yb2+ on structural, electronic, and optical properties of CsCaX 3 (X: Cl, Br, I) phosphors: a first-principles study	20
Tuning the anomalous Nernst and Hall effects with shifting the chemical potential in Fe-doped and Ni-doped Co3Sn2S2	20

Deciphering competing interactions of Kitaev–Heisenberg-Γ system in clusters: I. Static properties	19
Comparing dynamics, pinning and ratchet effects for skyrmionium, skyrmions, and antiskyrmions	19
Porous Haldane model: topological phase transitions and flat bands	19
Electronic and elastic correlations in AlB2-type two-dimensional hexagonal MBenes	19
Strain-induced topological charge control in multifold fermion systems	19
Ultra-wide band gap and large exciton effect in 2D ferrovalley material H-FeCl2	19
Perspective: How to overcome dynamical density functional theory	18
Synthesis of Zn2NbN3 ternary nitride semiconductor with wurtzite-derived crystal structure	18
Investigation of vacancy defects and substitutional doping in AlSb monolayer with double layer honeycomb structure: a first-principles calculation	18
Topological phase transition associated with structural phase transition in ternary half Heusler compound LiAuBi	18
Full-zone persistent spin textures with giant spin splitting in two-dimensional group IV–V compounds	18
Diffusion-reaction model of positron annihilation for complex defect pattern	18
Polymer curing assisted formation of optically visible sub-micron blisters of multilayer graphene for local strain engineering	18
2D–1D mixed-dimensional heterostructures: progress, device applications and perspectives	18
Spin–orbit effects in pentavalent iridates: models and materials	18
Perspective: New directions in dynamical density functional theory	18
High-temperature oxidation and reduction of the inverse ceria/Cu(111) catalyst characterized by LEED, STM, nc-AFM and KPFM	17
Quantitative phase retrieval and characterization of magnetic nanostructures via Lorentz (scanning) transmission electron microscopy	17
Study of crystal properties based on attention mechanism and crystal graph convolutional neural network	17
Weak electronic correlations observed in magnetic Weyl Semimetal Mn3Ge	17
Transport properties of a 1000 nm HgTe film: the interplay of surface and bulk carriers	17
Frustration in block copolymer assemblies	17
Topological phase transition and tunable surface states in YBi	16
Characterization of charge-carrier dynamics at the Bi2Se3/MgF2 interface by multiphoton pumped UV–Vis transient absorption spectroscopy	16
Emergence of quenched disorder as a dominant control for complex phase diagram of rare-earth nickelates	16
Lattice effects on the physical properties of half-doped perovskite ruthenates	16
Effect of Mn doping and charge transfer on LaTi1−x Mn x O3	16
Boron–nitrogen co-terminated diamond (110) surface for nitrogen-vacancy quantum sensors from first-principles calculations	16
First principle calculation of the photocurrent in a short carbon nanotube: the effect of an external bias	16
Weak antilocalization in the topological semimetal candidate YbAuSb	16
Orientation of graphene nanosheets in suspension under an electric field: theoretical model and molecular dynamic simulations	16
Predicting defect stability and annealing kinetics in two-dimensional PtSe2 using steepest entropy ascent quantum thermodynamics	16
Interplay of magnetic states and hyperfine fields of iron dimers on MgO(001)	16
Superconductivity in non-centrosymmetric ZrNiAl and HfRhSn-type compounds	16
Morphological fluctuations of individual mitochondria in living cells	15
Circular dichroism in Floquet Chern insulator via high-order harmonics spectroscopy	15
A thorough investigation of the antiferromagnetic resonance	15
Low magnetic-field induced high temperature dynamic magnetoelectric coupling performances in Z-type Sr3Co2Fe24O41	15
Effect of heteroepitaxial growth on LT-GaAs: ultrafast optical properties	15
Corrigendum: Novel in situ multi-harmonic EQCM-D approach to characterize complex carbon pore architectures for capacitive deionization of brackish water (2016 J. Phys.: Condens. Matter	15
Signatures of quantum phases in a dissipative system	15
Thermal rectification in mass-asymmetric one-dimensional anharmonic oscillator lattices with and without a ballistic spacer	15
Robust non-integer conductance in disordered 2D Dirac semimetals	14
Heat transport through a two-level system embedded between two harmonic resonators	14
Evidence for topological features in the electronic and phononic bands of ZGeSb (Z = Hf, Zr, Ti) class of compounds	14
Layer dependent magnetism and topology in monolayer and bilayers ReX 3 (X = Br, I)	14
Temperature dependence of elastic properties of the phospholipid vesicles in aqueous suspension probed by Brillouin spectroscopy	14
Long range piezoelectricity effects in van der Waals heterobilayer systems beyond 1000 atoms	14
Anomalous magnetoresistance and magneto-thermal properties of the half-Heuslers, RPdSi (R = Y, Gd–Er)	14
Non-equilibrium thermodynamics in NMR: understanding quadrupolar spin-1 systems	14
Terahertz wave radiation simulation in the Fe thin film*	14
Backscattering limit of nanoscale heat conduction	14
A reference-free MEAM potential for α-Fe and γ-Fe	14
Ni self-diffusion in glass forming Pd–Ni–S melts	14
Quaternary 2D monolayer Cu2Cl2Se2Hg2: anisotropic carrier mobility and tunable bandgap for transistor and photocatalytic applications	14
Coverage- and temperature-induced self-metalation of tetraphenyltransdibenzoporphyrin on Cu(111)	14
Modified Born method for modeling melting temperature using ab initio molecular dynamics	14
Octahedral rotations trigger electronic and magnetic transitions in strontium manganate under volume expansion	14
Pressure-induced symmetry lowering in Nb3Sn1−x superconductor	14
Crucial role of interfacial interaction in 2D polar SiGe/GeC heterostructures	14
Al-alkyls as acceptor dopant precursors for atomic-scale devices	14
Thermoelectric transport properties of XAgP (X = Sr and Ba) from first principles	14
Two-dimensional graphyne–graphene heterostructure for all-carbon transistors	14
On the proximate Kitaev quantum-spin liquid α-RuCl3: thermodynamics, excitations and continua	14
On the formation and diffusion of oxygen vacancies in non-stoichiometric mixed Co3-x Mn x O4 spinel structures from fir	14
Regular magnetic orders in triangular and kagome lattices	13
Crystal structure prediction of materials with high symmetry using differential evolution	13
Magnetoresistive effect in a quantum heterostructure with helical spacer: interplay between helicity and external electric field	13
Temperature-induced disruptive growth rate behavior due to streaming instability in semiconductor quantum plasma with nanoparticles	13
Unveiling the structural phase transition and magnetic structure of ternary boride PrIr3B2	13
Noncollinear antiferromagnetic textures driven high-harmonic generation from magnetic dynamics in the absence of spin-orbit coupling	13
Cavity-mediated drag in double-layer graphene	13
Selective triggering in-plane and out-of-plane dipolar modes of hexagonal Au nanoplate with the polarization of excitation beam	13
Signature of universal fast scrambling in the transient response of a driven mott insulator system	13
Plasmonic detection of the parity anomaly in a two-dimensional Chern insulator	13
Effect of non-magnetic doping on magnetic state and Li/Na adsorption and diffusion of black phosphorene	13
Effect of low temperature structural phase transitions in BaTiO3 on electrical transport through a metal–ferroelectric–metal multilayer of AuCr/BaTiO3/Nb:SrTiO3	13
Low field mobility in bulk GaN and its ternary AlGaN/GaN compounds (quantum kinetic approach)	13
Role of isotropic and anisotropic Dzyaloshinskii–Moriya interaction on skyrmions, merons and antiskyrmions in the C nv symmetric system	13
Pressure evolution of electronic and structural properties in transition metal dichalcogenide 1T-Co1.06Te2	13

Nanoparticles with cubic symmetry: classification of polyhedral shapes	13
Branching structure of genealogies in spatially growing populations and its implications for population genetics inference	12
Thermodynamics and entropic inference of nanoscale magnetic structures in Gd	12
Heats of formation and stress–strain relationship of Fe–Cr solid solutions from a constructed Fe–Cr potential	12
Exploiting phase transitions in catalysis: reaction of CO2 and H2 on doped VO2 -polymorphs	12
Engineering the band structure of type-II MoSe2/WSe2 van der Waals heterostructure by electric field and twist angle: a first principles perspective	12
Topological magnetic hysteresis in single crystals of CeAgSb2 ferromagnet	12
Comparison of magnetoimpedance behaviors in meander CoFeNiSiB amorphous ribbon for deformation sensing applications	12
Transition metal dichalcogenide (TMDs) electrodes for supercapacitors: a comprehensive review	12
Higher order topology in a Creutz ladder	12
H2O2 adsorption and dissociation on various CeO2 (111) surface models: a first-principles study	12
The visible magneto-optical response of RE1-xAxMnO3 manganites: relationship with the charge component of the material	12
Atomistic designing of 2D quantum materials heterostructures CdF/CrI3 for Berry curvature driven tunable intrinsic anomalous Hall state	12
Active learning-based automated construction of Hamiltonian for structural phase transitions: a case study on BaTiO3	12
First principles study on magnetic anisotropy of 5d transition metal doped graphdiyne	12
Non-equilibrium relaxation and aging in the dynamics of a dipolar fluid quenched towards the glass transition	12
Analysis of a viscoelastic phase separation model	12
Feedback enhanced Dyakonov–Shur instability in graphene field-effect transistors	12
The influence of charge ordering in the microscopic structure of monohydroxy alcohols	12
Intrinsic second-order magnon thermal Hall effect	12
Assessment of empirical interatomic potential to predict thermal conductivity in ThO2 and UO2	12
Isolation and characterisation of monolayer phosphorene analogues	12
Thermal neutron cross sections of amino acids from average contributions of functional groups	12
Electric and magnetic tuning of Gilbert damping constant in LSMO/PMN-PT(011) heterostructure	12
Surface tension of liquids and binary mixtures from molecular dynamics simulations	12
Effects of an external electric field on the electronic properties and optical excitations of germanane and silicane monolayers	12
Quantum oscillation and Landau–Zener transition in untilted nodal line semimetals under a time-periodic magnetic field	12
Constraint dependence of pressure on a passive probe in an active bath	12
Hatsugai–Kohmoto models: exactly solvable playground for Mottness and non-Fermi liquid	11
Classical route to ergodicity and scarring in collective quantum systems	11
2D electrene LaH2 monolayer: an ideal ferrovalley direct semiconductor with room-temperature ferromagnetic stability	11
Structure and magnetism of the triangular lattice material YbBO3	11
Reciprocal or nonreciprocal bimolecular interface and quantum entanglement	11
Coarse grained simulation of the aggregation and structure control of polyethylene nanocrystals	11
Magnetic correlations in single-layer NbSe2	11
Collective dynamics of liquid sulphur across the polymerisation transition temperature probed by inelastic x-ray scattering	11
Enhancement of H2S sensing performance of rGO decorated CuO thin films: experimental and DFT studies	11
Ionic liquids on oxide surfaces	11
Simulation of electrical rectification effect in two-dimensional MoSe2/WSe2 lateral heterostructures	11
The primitive model in classical density functional theory: beyond the standard mean-field approximation	11
Fermi surface of the chiral topological semimetal PtGa	11
How to produce spin-splitting in antiferromagnetic materials	11
Fubini–Study metric and topological properties of flat band electronic states: the case of an atomic chain with s − p orbitals	11
Dynamical effective field model for interacting ferrofluids: I. Derivations for homogeneous, inhomogeneous, and polydisperse cases	11
Flat bands without twists: periodic holey graphene	11
Spin-resolved transport of multifunctional C18 molecule-based nanodevices: a first-principles study	11
Critical behavior of Tan’s contact for bosonic systems with a fixed chemical potential	11
Investigation of magnetic properties and colossal magnetoresistance in nanocrystalline doped manganite	11
Enhancement of tunneling electroresistance in metal/two-dimensional ferroelectric tunnel junctions: route for polarization-modulated interface transport	11
Thermodynamic cyclic voltammograms: peak positions and shapes	11
Ultra-thin double-layered hexagonal CuI: strain tunable properties and robust semiconducting behavior	11
The effect of side substitution and quantum interference on the performance of molecular thermoelectric devices: a brief review	11
Preface to special issue on advances in quantum chemistry	11
Orientational order and phase transitions in deuterated methane: a neutron total scattering and reverse Monte Carlo study	11
Room-temperature ferromagnetic CoSe2 nanoplates synthesized by chemical vapor deposition	11
Real-time first-principles calculations of ultrafast carrier dynamics of SnSe/TiO2 heterojunction under Li+ implantation	11
MDs-NP: a property prediction model construction procedure for naphtha based on molecular dynamics simulation	11
Fingerprint Raman spectroscopy for two-dimensional MoS2x Se2(1−x) alloys	11
Ab initio modelling of interfacial electrochemical properties: beyond implicit solvation limitations	11
Phase classification using neural networks: application to supercooled, polymorphic core-softened mixtures	11
Novel Janus group III chalcogenide monolayers Al2XY2 (X/Y = S, Se, Te): first-principles insight onto the structural, electronic, and transport properties	10
Adsorption of dissolved gas molecules in the transformer oil on silver-modified (002) planes of molybdenum diselenide monolayer: a DFT study	10
Ground-state phase diagram and universality of sequential topological valence-bond-solid quantum transitions in a mixed tetramer chain	10
Predicting materials properties with generative models: applying generative adversarial networks for heat flux generation	10
Thermal and structural analysis of binary mixtures of pyrimidine liquid crystals using modulated differential calorimetry and synchrotron x-ray diffraction measurements	10
A single crystal study of Kagome metals U2Mn3Ge and U2Fe3Ge	10
Evidence of hybridization states at the donor/acceptor interface: case of m-MTDATA/PPT	10
Magnetic structures and electronic properties of cubic-pyrochlore ruthenates from first principles	10
Effects of Y- and La-doping on the magnetic ordering, Kondo effect, and spin dynamics in Ce1−x M x	10
Light driven magnetic transitions in transition metal dichalcogenide heterobilayers	10
Phase shift of coherent magnetization dynamics after ultrafast demagnetization in strongly quenched nickel thin films	10
Particle/wall electroviscous effects at the micron scale: comparison between experiments, analytical and numerical models	10
Exploring charge transfer and schottky barrier modulation at monolayer Ge2Sb2Te5-metal interfaces	10
Ab initio calculations of spin-nonconserving exciton–phonon scattering in monolayer transition metal dichalcogenides	10
Rotational phase transitions in antifluorite-type osmate and iridate compounds	10
Magnon bands in pyrochlore slabs with Heisenberg exchange and anisotropies	10
Two-dimensional CSiO and CGeO: direct-band-gap semiconductors with normal/anomalous auxeticity for solar cells and alkali-metal-ion batteries	10
Local structural investigation of non-crystalline materials at high pressure: the case of GeO2 glass	10
Charged elastic rings: deformation and dynamics	10
Mixing properties of Al2O3(0001)-supported M 2O3 and MM′O3 monolayers (M, M′ = Ti, V, Cr, Fe)	10
Theory of unidirectional magnetoresistance and nonlinear Hall effect	10
Spin splitting in monoperiodic systems described by magnetic line groups	10
Rare-earth tuned magnetism and magnetocaloric effects in double perovskites R 2NiMnO6	10
Thermodynamic approach for the understanding of the kinetics of heat effects induced by structural relaxation of metallic glasses	10
Study on the relationship between uniaxial strain and critical transition temperature of MgB2 based on first-principles	10
Coupled spin–orbital fluctuations in a three orbital model for 4d and 5d oxides with electron fillings n = 3, 4, 5—application to NaOsO3, Ca2RuO4 and Sr	10
Structure and stability of La- and hole-doped hafnia with/without epitaxial strain	10
Evolution of magnetic surfboards and spin glass behavior in (Fe1−p Ga p )2TiO5	10
Novel wide spectrum light absorber heterostructures based on hBN/In(Ga)Te	10
Unconventional electronic phase transition in SnBi2Te4: role of anomalous thermal expansion	10
Ultrafast optical induction of magnetic order at a quantum critical point	10
Instantaneous Marcus theory for photoinduced charge transfer dynamics in multistate harmonic model systems	10
Efficient passivation of n-type and p-type silicon surface defects by hydrogen sulfide gas reaction	10
Unified theory of spin and charge in a ferromagnet	10
Chirality induced spin selectivity in electron transport investigated by scanning probe microscopy	10