Journal of Physics-Condensed Matter

Article	Citations
Exact diagonalization for a 16-site spin-1/2 pyrochlore cluster	609
Machine learning assisted crystallographic reconstruction from atom probe tomographic images	452
Phase transition of DNA knotting in spherical space	138
Transformation from antiferromagnetic target skyrmion to antiferromagnetic skyrmion by unzipping process through a confined nanostructure	131
Strain-relaxation induced transverse resistivity anomaly in epitaxial films through lithography engineering	84
Electron and hole capture processes in Cu-doped glass exhibiting radiophotoluminescence	79
DFT-1/2 method applied to 3D topological insulators	78
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	71
Effect of electron- and hole-doping on properties of kagomé-lattice ferromagnet Fe3Sn2	71
Non-adiabatic dynamics of the entanglement entropy in a symmetry-breaking Haldane insulator	61
Role of rare-earth metals (R) in the appearance of relaxation processes in AL–Ni–R metal melts	56
Glasses and gels: a crossroad of molecular liquids, polymers and colloids	56
Viscosity of Al–Ni–Co–Nd(Sm) glass-forming melts at high temperatures	50
Topological tight binding models on some non-trivial lattices: union of geometry, flat bands and topology	46
Floquet topological properties in the non-Hermitian long-range system with complex hopping amplitudes	45
Quantum theory of the spin dynamics excited by ultrashort THz laser pulses in rare earth antiferromagnets. DyFeO3	45
Analytical solutions for the magnon frequencies at high-symmetry points of the Brillouin zone in anisotropic kagome antiferromagnets	45
Making high-quality quantum microwave devices with van der Waals superconductors	42
Ionic liquids in conducting nanoslits: how important is the range of the screened electrostatic interactions?	41
Polarized neutron scattering studies of magnetic excitations in iron-selenide superconductor Li0.8Fe0.2ODFeSe (T c = 41 K)	39
Numerical package for QFT calculations of defect-induced phenomena in graphene	38
Electronic and magnetic properties of layered M3Si2Te6 (M = alkaline earth and transition metals)	37
Recent progress on topological semimetal IrO2: electronic structures, synthesis, and transport properties	36
Chain dynamics of alternating polymers P(C n EG4)	35

Unpredictable condensate–depletion dynamics in one-dimensional power-law traps	33
Re-emerging magnetic order in correlated van der Waals antiferromagnet NiPS3	33
Enhanced electron–phonon coupling near an electronic quantum phase transition	33
Structural origins of the unusual thermal stability of amorphous Cu x Ge50−x Te50 (0 ⩽ x ⩽	32
Mixed stochastic-deterministic time-dependent density functional theory: application to stopping power of warm dense carbon	30
ScGAN: a generative adversarial network to predict hypothetical superconductors	29
Temperature effects on the conductance, spin-valley polarization and tunneling magnetoresistance of single magnetic silicene junctions	29
Disorder enhanced dynamical heterogeneity in strain glass alloys	28
Thermodynamics and phase stability of Li8 XO6 octalithium ceramic breeder materials (X = Pb, Ce, Ge, Zr, Sn)	28
Effect of reaction path on high-pressure synthesis and stability of ruthenium hydrides	28
Ginzburg–Landau surface energy of multiband superconductors: derivation and application to selected systems	28
Exploring magnetic disorder in inverted core-shell nanoparticles: the role of surface anisotropy and core/shell coupling	27
Effect of the Rashba interaction on the tunneling time and Hartman effect in an 8-Pmmn borophene superlattice	27
Reducing phase transition temperature of vanadium dioxide by ascorbic acid	26
Existence of density inhomogeneity of liquid Te associated with liquid–liquid phase transition	25
Understanding the role of Niobium, Molybdenum and Tungsten in realizing of the transparent n-type SnO2	25
Exact mobility edges in quasiperiodic systems without self-duality	25
Synergistic effects of Mg doping on TiO2 for improved toxic gas sensing performance at room temperature	25
Releasing antiferromagnetic skyrmions from local magnetic-anisotropy defects	24
Circular dichroism in two-dimensional BC6N and B3C2N3 in absence of intervalley excitonic coupling	24
Phase transitions and properties of lanthanum under high pressures	23
Simultaneous pseudospin and valley topological edge states of elastic waves in phononic crystals made of distorted Kekulé lattices	23
Tunneling magnetoresistance and spin-valley polarization of aperiodic magnetic silicene superlattices	23
Structural phase transition driven dielectric and optical properties with reduction in band gap in Sr2+ modified BaTiO3 ceramics	23
Impurity effects on the zeroth pseudo-Landau level in twisted bilayer graphene	23
Predicted the structural diversity and electronic properties of Pt−N compounds under high pressure	23
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	22
Insights into the compositional and temperature-mediated magnetic characteristics of chromium-doped ZnO nanoparticles	22
Scaling and universality at ramped quench dynamical quantum phase transitions	22
Galvanic stabilization of Zn metals for long-life aqueous batteries	22
Pseudo anomalous Hall effect in semiconductors and semimetals: a classical perspective	22
Multiphoton-pumped UV-Vis transient absorption spectroscopy of 2D materials: basic concepts and recent applications	21
Interpolating between pair-potential systems	21
Growing MASnI3 perovskite single-crystal films by inverse temperature crystallization	20
Understanding magnetocrystalline anisotropy based on orbital and quadrupole moments	20
Spin-transfer and spin-orbit torques in the Landau–Lifshitz–Gilbert equation	20
Tuning the anomalous Nernst and Hall effects with shifting the chemical potential in Fe-doped and Ni-doped Co3Sn2S2	19
Structure and energetics of FeO/Fe(001) interfaces	19
Giant magnetoresistance and topological Hall effect in the EuGa4 antiferromagnet	19
Unconventional superconductivity in UTe2	19
Topological phase transition associated with structural phase transition in ternary half Heusler compound LiAuBi	18
Atomic and electronic structure of vicinal Ag(977) surface	18
Fermi surface of the chiral topological semimetal PtGa	18
Deciphering competing interactions of Kitaev–Heisenberg-Γ system in clusters: I. Static properties	18
Weak electronic correlations observed in magnetic Weyl Semimetal Mn3Ge	18
Ultra-wide band gap and large exciton effect in 2D ferrovalley material H-FeCl2	18
Thermal rectification in mass-asymmetric one-dimensional anharmonic oscillator lattices with and without a ballistic spacer	18
Effects of an external electric field on the electronic properties and optical excitations of germanane and silicane monolayers	17
Emergence of quenched disorder as a dominant control for complex phase diagram of rare-earth nickelates	17
Anomalous thermal activation of the electron glass dynamics in a-InOx and granular aluminum	17

Polymer curing assisted formation of optically visible sub-micron blisters of multilayer graphene for local strain engineering	17
Spin–orbit effects in pentavalent iridates: models and materials	17
Perspective: How to overcome dynamical density functional theory	17
Anomalous magnetoresistance and magneto-thermal properties of the half-Heuslers, RPdSi (R = Y, Gd–Er)	17
Topological phase transition and tunable surface states in YBi	17
Superconductivity in non-centrosymmetric ZrNiAl and HfRhSn-type compounds	17
Low magnetic-field induced high temperature dynamic magnetoelectric coupling performances in Z-type Sr3Co2Fe24O41	17
Effect of Mn doping and charge transfer on LaTi1−x Mn x O3	16
Signatures of quantum phases in a dissipative system	16
A thorough investigation of the antiferromagnetic resonance	16
Transport properties of a 1000 nm HgTe film: the interplay of surface and bulk carriers	16
Predicting defect stability and annealing kinetics in two-dimensional PtSe2 using steepest entropy ascent quantum thermodynamics	16
First principle calculation of the photocurrent in a short carbon nanotube: the effect of an external bias	16
Circular dichroism in Floquet Chern insulator via high-order harmonics spectroscopy	16
Interplay of magnetic states and hyperfine fields of iron dimers on MgO(001)	16
Boron–nitrogen co-terminated diamond (110) surface for nitrogen-vacancy quantum sensors from first-principles calculations	16
Lattice effects on the physical properties of half-doped perovskite ruthenates	16
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	16
Modified Born method for modeling melting temperature using ab initio molecular dynamics	15
Long range piezoelectricity effects in van der Waals heterobilayer systems beyond 1000 atoms	15
Robust non-integer conductance in disordered 2D Dirac semimetals	15
Evidence for topological features in the electronic and phononic bands of ZGeSb (Z = Hf, Zr, Ti) class of compounds	15
Two-dimensional graphyne–graphene heterostructure for all-carbon transistors	15
Non-equilibrium thermodynamics in NMR: understanding quadrupolar spin-1 systems	15
Quaternary 2D monolayer Cu2Cl2Se2Hg2: anisotropic carrier mobility and tunable bandgap for transistor and photocatalytic applications	15
Thermoelectric transport properties of XAgP (X = Sr and Ba) from first principles	15
A reference-free MEAM potential for α-Fe and γ-Fe	15
On the formation and diffusion of oxygen vacancies in non-stoichiometric mixed Co3-x Mn x O4 spinel structures from fir	15
On the proximate Kitaev quantum-spin liquid α-RuCl3: thermodynamics, excitations and continua	15
Crucial role of interfacial interaction in 2D polar SiGe/GeC heterostructures	15
Terahertz wave radiation simulation in the Fe thin film*	15
Temperature dependence of elastic properties of the phospholipid vesicles in aqueous suspension probed by Brillouin spectroscopy	15
Al-alkyls as acceptor dopant precursors for atomic-scale devices	14
Layer dependent magnetism and topology in monolayer and bilayers ReX 3 (X = Br, I)	14
Heats of formation and stress–strain relationship of Fe–Cr solid solutions from a constructed Fe–Cr potential	14
Pressure evolution of electronic and structural properties in transition metal dichalcogenide 1T-Co1.06Te2	14
Exploiting phase transitions in catalysis: reaction of CO2 and H2 on doped VO2 -polymorphs	14
Magnetoresistive effect in a quantum heterostructure with helical spacer: interplay between helicity and external electric field	14
Noncollinear antiferromagnetic textures driven high-harmonic generation from magnetic dynamics in the absence of spin-orbit coupling	14
Ni self-diffusion in glass forming Pd–Ni–S melts	14
Selective triggering in-plane and out-of-plane dipolar modes of hexagonal Au nanoplate with the polarization of excitation beam	14
Nanoparticles with cubic symmetry: classification of polyhedral shapes	14
Unveiling the structural phase transition and magnetic structure of ternary boride PrIr3B2	14
Active learning-based automated construction of Hamiltonian for structural phase transitions: a case study on BaTiO3	14
Cavity-mediated drag in double-layer graphene	14
Regular magnetic orders in triangular and kagome lattices	14
Low field mobility in bulk GaN and its ternary AlGaN/GaN compounds (quantum kinetic approach)	14
Effect of non-magnetic doping on magnetic state and Li/Na adsorption and diffusion of black phosphorene	14
Role of isotropic and anisotropic Dzyaloshinskii–Moriya interaction on skyrmions, merons and antiskyrmions in the C nv symmetric system	14
Plasmonic detection of the parity anomaly in a two-dimensional Chern insulator	14
First principles study on magnetic anisotropy of 5d transition metal doped graphdiyne	14
Effect of low temperature structural phase transitions in BaTiO3 on electrical transport through a metal–ferroelectric–metal multilayer of AuCr/BaTiO3/Nb:SrTiO3	14
Engineering the band structure of type-II MoSe2/WSe2 van der Waals heterostructure by electric field and twist angle: a first principles perspective	13
H2O2 adsorption and dissociation on various CeO2 (111) surface models: a first-principles study	13
Topological magnetic hysteresis in single crystals of CeAgSb2 ferromagnet	13
Higher order topology in a Creutz ladder	13
Quantitative phase retrieval and characterization of magnetic nanostructures via Lorentz (scanning) transmission electron microscopy	13
Morphological fluctuations of individual mitochondria in living cells	13
Feedback enhanced Dyakonov–Shur instability in graphene field-effect transistors	13
Electric and magnetic tuning of Gilbert damping constant in LSMO/PMN-PT(011) heterostructure	13
Atomistic designing of 2D quantum materials heterostructures CdF/CrI3 for Berry curvature driven tunable intrinsic anomalous Hall state	13
Electronic and elastic correlations in AlB2-type two-dimensional hexagonal MBenes	13
Weak antilocalization in the topological semimetal candidate YbAuSb	13
Non-equilibrium relaxation and aging in the dynamics of a dipolar fluid quenched towards the glass transition	13
Thermodynamics and entropic inference of nanoscale magnetic structures in Gd	13
Branching structure of genealogies in spatially growing populations and its implications for population genetics inference	13
Characterization of charge-carrier dynamics at the Bi2Se3/MgF2 interface by multiphoton pumped UV–Vis transient absorption spectroscopy	13
The influence of charge ordering in the microscopic structure of monohydroxy alcohols	13
Investigation of vacancy defects and substitutional doping in AlSb monolayer with double layer honeycomb structure: a first-principles calculation	12
Isolation and characterisation of monolayer phosphorene analogues	12
Perspective: New directions in dynamical density functional theory	12
The visible magneto-optical response of RE1-xAxMnO3 manganites: relationship with the charge component of the material	12
Crystal structure prediction of materials with high symmetry using differential evolution	12
Surface tension of liquids and binary mixtures from molecular dynamics simulations	12
Temperature-induced disruptive growth rate behavior due to streaming instability in semiconductor quantum plasma with nanoparticles	12
Constraint dependence of pressure on a passive probe in an active bath	12
Study of crystal properties based on attention mechanism and crystal graph convolutional neural network	12
2D–1D mixed-dimensional heterostructures: progress, device applications and perspectives	12
Porous Haldane model: topological phase transitions and flat bands	12
Diffusion-reaction model of positron annihilation for complex defect pattern	12

Full-zone persistent spin textures with giant spin splitting in two-dimensional group IV–V compounds	12
High-temperature oxidation and reduction of the inverse ceria/Cu(111) catalyst characterized by LEED, STM, nc-AFM and KPFM	12
Intrinsic second-order magnon thermal Hall effect	12
Orientation of graphene nanosheets in suspension under an electric field: theoretical model and molecular dynamic simulations	12
Comparison of magnetoimpedance behaviors in meander CoFeNiSiB amorphous ribbon for deformation sensing applications	12
Anisotropy driven spin–reorientation, and two–step magnetic ordering in cubic semiconducting spinel	12
Comparing dynamics, pinning and ratchet effects for skyrmionium, skyrmions, and antiskyrmions	11
Real-time first-principles calculations of ultrafast carrier dynamics of SnSe/TiO2 heterojunction under Li+ implantation	11
Direct formation of interlayer excitons in MoSSe/WSSe van der Waals heterobilayer	11
Chirality induced spin selectivity in electron transport investigated by scanning probe microscopy	11
Novel Janus group III chalcogenide monolayers Al2XY2 (X/Y = S, Se, Te): first-principles insight onto the structural, electronic, and transport properties	11
Simulation of electrical rectification effect in two-dimensional MoSe2/WSe2 lateral heterostructures	11
Rare-earth tuned magnetism and magnetocaloric effects in double perovskites R 2NiMnO6	11
Preface to special issue on advances in quantum chemistry	11
Dynamical effective field model for interacting ferrofluids: I. Derivations for homogeneous, inhomogeneous, and polydisperse cases	11
Investigation of magnetic properties and colossal magnetoresistance in nanocrystalline doped manganite	11
2D electrene LaH2 monolayer: an ideal ferrovalley direct semiconductor with room-temperature ferromagnetic stability	11
The primitive model in classical density functional theory: beyond the standard mean-field approximation	11
Phase classification using neural networks: application to supercooled, polymorphic core-softened mixtures	11
Room-temperature ferromagnetic CoSe2 nanoplates synthesized by chemical vapor deposition	11
Spin splitting in monoperiodic systems described by magnetic line groups	11
Particle/wall electroviscous effects at the micron scale: comparison between experiments, analytical and numerical models	11
Phase shift of coherent magnetization dynamics after ultrafast demagnetization in strongly quenched nickel thin films	11
Collective dynamics of liquid sulphur across the polymerisation transition temperature probed by inelastic x-ray scattering	11
Orientational order and phase transitions in deuterated methane: a neutron total scattering and reverse Monte Carlo study	11
Fubini–Study metric and topological properties of flat band electronic states: the case of an atomic chain with s − p orbitals	11
Exploring charge transfer and schottky barrier modulation at monolayer Ge2Sb2Te5-metal interfaces	11
Enhancement of tunneling electroresistance in metal/two-dimensional ferroelectric tunnel junctions: route for polarization-modulated interface transport	11
Hatsugai–Kohmoto models: exactly solvable playground for Mottness and non-Fermi liquid	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
Unified theory of spin and charge in a ferromagnet	11
Flat bands without twists: periodic holey graphene	11
Thermodynamic approach for the understanding of the kinetics of heat effects induced by structural relaxation of metallic glasses	11
Study on the relationship between uniaxial strain and critical transition temperature of MgB2 based on first-principles	11
Critical behavior of Tan’s contact for bosonic systems with a fixed chemical potential	11
Reciprocal or nonreciprocal bimolecular interface and quantum entanglement	11
The effect of side substitution and quantum interference on the performance of molecular thermoelectric devices: a brief review	11
Coverage- and temperature-induced self-metalation of tetraphenyltransdibenzoporphyrin on Cu(111)	11
Ultra-thin double-layered hexagonal CuI: strain tunable properties and robust semiconducting behavior	11
Light driven magnetic transitions in transition metal dichalcogenide heterobilayers	10
Ground-state phase diagram and universality of sequential topological valence-bond-solid quantum transitions in a mixed tetramer chain	10
Magnon bands in pyrochlore slabs with Heisenberg exchange and anisotropies	10
Jahn–Teller distortion and magnetocaloric synergy in Dy0.5R0.5Fe0.75Mn0.25O3	10
Magnetic structures and electronic properties of cubic-pyrochlore ruthenates from first principles	10
Thickness-dependence of the in-plane thermal conductivity and the interfacial thermal conductance of supported MoS2	10
Charged elastic rings: deformation and dynamics	10
A single crystal study of Kagome metals U2Mn3Ge and U2Fe3Ge	10
Ultrafast optical induction of magnetic order at a quantum critical point	10
Rotational phase transitions in antifluorite-type osmate and iridate compounds	10
Thermal and structural analysis of binary mixtures of pyrimidine liquid crystals using modulated differential calorimetry and synchrotron x-ray diffraction measurements	10
Unconventional electronic phase transition in SnBi2Te4: role of anomalous thermal expansion	10
Enhancement of H2S sensing performance of rGO decorated CuO thin films: experimental and DFT studies	10
Beyond the random phase approximation for calculating Curie temperatures in ferromagnets: application to Fe, Ni, Co and monolayer CrI3	10
Signatures of magnon–phonon coupling in frustrated double perovskite square lattices	10
Novel low-energy geometries of single, double and triple tellurium atomic helices	10
Two-dimensional CSiO and CGeO: direct-band-gap semiconductors with normal/anomalous auxeticity for solar cells and alkali-metal-ion batteries	10
Efficient passivation of n-type and p-type silicon surface defects by hydrogen sulfide gas reaction	10
Adsorption of dissolved gas molecules in the transformer oil on silver-modified (002) planes of molybdenum diselenide monolayer: a DFT study	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
Structure and stability of La- and hole-doped hafnia with/without epitaxial strain	10
Ab initio calculations of spin-nonconserving exciton–phonon scattering in monolayer transition metal dichalcogenides	10
Low-energy electron microscopy as a tool for analysis of self-assembled molecular layers on surfaces.	10
Magnon band modulations in monolayer and bilayer honeycomb ferromagnets with the Kekulé coupling texture	10
Structure and magnetism of the triangular lattice material YbBO3	10
Novel wide spectrum light absorber heterostructures based on hBN/In(Ga)Te	10
Evidence of hybridization states at the donor/acceptor interface: case of m-MTDATA/PPT	10
Instantaneous Marcus theory for photoinduced charge transfer dynamics in multistate harmonic model systems	10
Silicene dynamic optical response in the presence of external electric and exchange fields	9
Unlocking magnetic ferro-rotational functionalities	9
The superexchange mechanism in crystalline compounds. The case of KMF3 (M = Mn, Fe, Co, Ni) perovskites	9
Terahertz conductivity of two-dimensional materials: a review	9
Optical response of Higgs mode in superconductors at clean limit: formulation through Eilenberger equation and Ginzburg–Landau Lagrangian	9
Molecular transistors as substitutes for quantum information applications	9
Laser-induced THz magnetism of antiferromagnetic CoF2	9
Study of rutile TiO2(110) single crystal by transient absorption spectroscopy in the presence of Ce4+ cations in aqueous environment. Implication on water splitting	9
Enhanced tunneling electroresistance through interfacial charge-modulated barrier in α-In2Se3-based ferroelectric tunnel junction	9
Spin and charge persistent currents in a Kane Mele α-T 3 quantum ring	9
Ab initio lattice thermal conductivity of (Mg,Fe)O ferropericlase at the Earth’s lower mantle pressure and temperature	9
Fundamental theory of current-induced motion of magnetic skyrmions	9
Effects of expandable graphite on the flame-retardant and mechanical performances of rigid polyurethane foams	9
Enhancement of superconductivity in Zr2S2C arising from phonon softening on transition from bulk to monolayer	9
Ion trapping model of the ac conductivity in disordered solids	9
Anisotropic hybridization probed by polarization dependent x-ray absorption spectroscopy in VI3 van der Waals Mott ferromagnet	9
Enhancing directed collective motion of self-propelled particles in confined channel	9
Electrostatic doping tunable magnetic transition and half-metallicity in the monolayer CrCTe3	9
Boosting thermal energy transport across the interface between phase change materials and metals via self-assembled monolayers	9
XPS binding energy shifts as a function of bond distances: a case study of CO	9
Stability of nontrivial magnetic structures in ferromagnetic films with antidots	9
Asymmetric magnetoimpedance in exchange-biased systems	9
Porous amorphous nitinol synthesized by argon injection: a molecular dynamics study	9
Ultrafast dynamics of exciton-polariton fluids at non-zero momenta	9
Two-dimensional antiferromagnetic nodal-line semimetal and spin Hall effect in MnC4	9
Plasmon-enhanced photoluminescence and Raman spectroscopy of silver nanoparticles grown by solid state dewetting	9