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Author: Bellaiche, Laurent

TitleJournalYear
Non-volatile magnon transport in a single domain multiferroicNature Communications2024
Creating Ferroelectricity in Monoclinic ( HfO2 )1 / ( CeO2 )1 SuperlatticesPHYSICAL REVIEW LETTERS2024
Large photostriction near the phase boundary in BiFeO 3 under varying epitaxial strainPHYSICAL REVIEW B2024
Engineering magnetic domain wall energies in BiFeO 3 via epitaxial strain: A route to assess skyrmionic stabilities in multiferroics from first principlesPHYSICAL REVIEW B2024
Revealing the three-dimensional arrangement of polar topology in nanoparticlesNature Communications2024
Electro-optic properties from ab initio calculations in two-dimensional materialsPhysical Review B2024
Ultrastrong Coupling between Polar Distortion and Optical Properties in Ferroelectric MoBr2O2Journal of the American Chemical Society2024
Effective gyration of polar vortex arrays controlled by high orbital angular momentum of lightPhysical Review B2024
Dynamical Control of Topology in Polar Skyrmions via Twisted LightPHYSICAL REVIEW LETTERS2024
Tunable and parabolic piezoelectricity in hafnia under epitaxial strainNature Communications2024
Stoner instability-mediated large magnetoelectric effects in 2D stacking electridesNPJ Computational Materials2024
Low voltage-driven high-performance thermal switching in antiferroelectric PbZrO3 thin filmsScience2024
Crossover from Linear to Quadratic Electro-optic Behavior in BaTiO3 and ðBa;SrþTiO3 Solid SolutionPhysical Review Letters2024
Designing polar textures with ultrafast neuromorphic features from atomistic simulationsNeuromorphic Computing and Engineering2023
Finite-temperature properties of CsPbI3 thin filmsPhysical Review Materials2023
Electric field induced large Rashba effect and topological phase transition in halide perovskite superlatticesPhysical Review B2023
Dynamical Multiferroicity and Magnetic Topological Structures Induced by the Orbital Angular Momentum of Light in a Nonmagnetic MaterialPhysical Review Letters2023
Topological phases in polar oxide nanostructuresREVIEWS OF MODERN PHYSICS2023
Spherical ferroelectric solitonsNATURE MATERIALS2023
Size-Induced Ferroelectricity in Antiferroelectric Oxide MembranesADVANCED MATERIALS2023
Ferroelectric phase transitions in epitaxial antiferroelectric PbZrO3 thin filmsAPPLIED PHYSICS REVIEWS2023
Photoinduced control of ferroelectricity in hybrid-improper ferroelectric superlatticesPHYSICAL REVIEW B2023
Electrical topological defects induced by terahertz laser pulsesPHYSICAL REVIEW B2023
Light: A new handle to control the structure of cesium lead iodidePHYSICAL REVIEW B2023
Stability of ferroelectric bubble domainsPHYSICAL REVIEW MATERIALS2023
Generation of magnetic skyrmions in two-dimensional magnets via interfacial proximityPHYSICAL REVIEW B2023
Temperature-dependent properties of the antiferroelectric model PbZrO3: An effective Hamiltonian studyPHYSICAL REVIEW B2023
Microscopic origin of the electric Dzyaloshinskii-Moriya interactionPHYSICAL REVIEW B2023
Bridging the gap between the short-range to long-range structural descriptions of the lead magnesium niobate relaxorACTA MATERIALIA2023
Ferroelectric solitons crafted in epitaxial bismuth ferrite superlatticesNATURE COMMUNICATIONS2023
Hexagonal Close-Packed Polar-Skyrmion Lattice in Ultrathin Ferroelectric PbTiO3 FilmsPHYSICAL REVIEW LETTERS2023
The anti-symmetric and anisotropic symmetric exchange interactions between electric dipoles in hafniaNature Communications2023
Multiferroicity in Ga-substituted LuFeO3: A first-principles studyPhysical Review Materials2023
Toward Ultimate Memory with Single-Molecule MultiferroicsJournal of the American Chemical Society2023
Electric-field-induced formation and annihilation of skyrmions in a two-dimensional magnetPhysical Review B2023
Zeeman spin splittings with persistent spin textures in antiferromagnetic semiconductorsPhysical Review B2023
Flexoelectricity-stabilized ferroelectric phase with enhanced reliability in ultrathin La:HfO2 films2023
Flexoelectricity-stabilized ferroelectric phase with enhanced reliability in ultrathin La:HfO2 filmsApplied Physics Reviews2023
High-density switchable skyrmion-like polar nanodomains integrated on siliconNature2022
Assembling Diverse Skyrmionic Phases in Fe3GeTe2 MonolayersAdvanced Materials2022
Magnetically controllable band splittings in Pnma ferromagnetic materialsPhysical Review B2022
Ultrahigh energy storage density in lead-free antiferroelectric rare-earth-substituted bismuth ferritePhysical Review Materials2022
Deterministic control of ferroelectric polarization by ultrafast laser pulsesNature Communications2022
Hidden phases with neuromorphic responses and highly enhanced piezoelectricity in an antiferroelectric prototypePhysical Review B2022
Domain-wall-induced electromagnons in multiferroicsPhysical Review Materials2022
Controlling the properties of PbTiO3/SrTiO(3 )superlattices by photoexcited carriersPHYSICAL REVIEW B2022
THz-induced activation of hidden states in rare-earth-doped BiFeO3 solid solutionsPHYSICAL REVIEW MATERIALS2022
Zeeman Effect in Centrosymmetric Antiferromagnetic Semiconductors Controlled by an Electric FieldPHYSICAL REVIEW LETTERS2022
Anomalous ferroelectricity and double-negative effects in bilayer hexagonal boron nitridePHYSICAL REVIEW B2022
Strain-induced ferroelectricity and piezoelectricity in centrosymmetric binary oxidesPHYSICAL REVIEW B2022
Ultrafast Activation and Tuning of Topological Textures in Ferroelectric NanostructuresADVANCED ELECTRONIC MATERIALS2022
Ferroelectricity in Charge-Ordering Crystals with Centrosymmetric LatticesCHINESE PHYSICS LETTERS2022
Two-Dimensional Organic-Inorganic Room-Temperature MultiferroicsJOURNAL OF THE AMERICAN CHEMICAL SOCIETY2022
Energy storage in lead-free Ba(Zr, Ti)O-3 relaxor ferroelectrics: Large densities and efficiencies and their originsPhysical Review B2022
Zeeman-type energy level splittings controlled by an electric fieldPhysical Review B2022
Controlling topological defect transitions in nanoscale lead zirconate titanate heterostructuresPHYSICAL REVIEW MATERIALS2021
Magnetoelastic standing waves induced in UO2 by microsecond magnetic field pulsesProceedings of the National Academy of Sciences of the United States of America2021
Effect of the polar distortion on the thermoelectric properties of GeTeEUROPEAN PHYSICAL JOURNAL B2021
Ultrafast Neuromorphic Dynamics Using Hidden Phases in the Prototype of Relaxor FerroelectricsPHYSICAL REVIEW LETTERS2021
Properties of (001) NaNbO3 films under epitaxial strain: A first-principles studyPHYSICAL REVIEW B2021
Electrocaloric effects in multiferroicsPHYSICAL REVIEW B2021
Coexistence and Coupling of Multiple Charge Orderings and Spin States in Hexagonal FerriteNano Letters2021
Spin-polarized electronic states and atomic reconstructions at antiperovskite Sr3SnO(001) polar surfacesPhysical Review B2021
Ultrahigh energy storage density in epitaxial AlN/ScN superlatticesPhysical Review Materials2021
First-principles study of spin spirals in the multiferroic BiFeO3Physical Review B2021
Ferroelectric phase-transition frustration near a tricritical composition pointNATURE COMMUNICATIONS2021
Ferroelectric phase-transition frustration near a tricritical composition pointNATURE COMMUNICATIONS2021
Finite-Temperature Dynamics in Cesium Lead Iodide Halide PerovskiteADVANCED FUNCTIONAL MATERIALS2021
Spin-orbit effects in ferroelectric PbTiO3 under tensile strainPHYSICAL REVIEW B2021
Structural and magnetic properties of two-dimensional layered BiFeO3 from first principlesPHYSICAL REVIEW B2021
Revisiting structural phases in some perovskites: The case of BaCeO3PHYSICAL REVIEW B2021
Energetic Couplings in FerroicsADVANCED ELECTRONIC MATERIALS2021
Anisotropic epitaxial stabilization of a low-symmetry ferroelectric with enhanced electromechanical responseNATURE MATERIALS2021
Freestanding Ferroelectric Bubble DomainsAdvanced Materials2021
Strain-induced resonances in the dynamical quadratic magnetoelectric response of multiferroicsNPJ COMPUTATIONAL MATERIALS2020
Designing frustration in two-dimensional magnetic systems via the application of uniaxial strainPHYSICAL REVIEW B2020
Dzyaloshinskii-Moriya-like interaction in ferroelectrics and antiferroelectricsNATURE MATERIALS2020
Enhanced transient negative capacitance during inhomogeneous ferroelectric switchingPHYSICAL REVIEW B2020
Universality and origin of ultrashort intrinsic negative dielectric permittivityPHYSICAL REVIEW B2020
Topology and control of self-assembled domain patterns in low-dimensional ferroelectricsNATURE COMMUNICATIONS2020
Possible Kitaev Quantum Spin Liquid State in 2D Materials with S=3/2PHYSICAL REVIEW LETTERS2020
Topological spin texture in Janus monolayers of the chromium trihalides Cr(I, X)(3)PHYSICAL REVIEW B2020
Inverse transition of labyrinthine domain patterns in ferroelectric thin filmsNATURE2020
Band structure engineering of van der Waals heterostructures using ferroelectric clamped sandwich structuresPHYSICAL REVIEW B2020
Atomic-scale origin of ultrahigh piezoelectricity in samarium-doped PMN-PT ceramicsPHYSICAL REVIEW B2020
Strain-induced resonances in the dynamical quadratic magnetoelectric response of multiferroicsNPJ COMPUTATIONAL MATERIALS2020
Macroscopic and Microscopic Structures of Cesium Lead Iodide Perovskite from Atomistic SimulationsADVANCED FUNCTIONAL MATERIALS2020
Improper ferroelectricity in 134-type AA ' 3B4O12 perovskitesPHYSICAL REVIEW B2020
Design of broad and large physical responses from atomistic simulationsPHYSICAL REVIEW B2020
Evidence for Goldstone-like and Higgs-like structural modes in the model PbMg1/3Nb2/3O3 relaxor ferroelectricPHYSICAL REVIEW B2020
Purely Cubic Spin Splittings with Persistent Spin TexturesPHYSICAL REVIEW LETTERS2020
Emergence of skyrmionium in a two-dimensional CrGe(Se,Te)(3) Janus monolayerPHYSICAL REVIEW B2020
Strain control of layer-resolved negative capacitance in superlatticesNPJ COMPUTATIONAL MATERIALS2020
Uncompensated Polarization in Incommensurate Modulations of Perovskite AntiferroelectricsPHYSICAL REVIEW LETTERS2019
Prediction of room-temperature half-metallicity in layered halide double perovskitesNPJ COMPUTATIONAL MATERIALS2019
Conformational Domain Wall SwitchAdvanced Functional Materials2019
Giant piezoelectricity of Sm-doped Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystalsScience2019
Expansion of the spin cycloid in multiferroic BiFeO3 thin filmsNPJ Quantum Materials2019
First-principles screening of ABO(3) oxides with two magnetic sublatticesPhysical Review Materials2019
Ferroelectricity with Asymmetric Hysteresis in Metallic LiOsO3 Ultrathin FilmsPhysical Review Letters2019
Magnetoelastic and magnetoelectric couplings across the antiferromagnetic transition in multiferroic BiFeO3,Physical Review B2019
Photovoltaics in Ferroelectric Materials: Origin, Challenges and OpportunitiesAdvanced Materials Book Series2019
Photoinduced Phase Transitions in FerroelectricsPhysical Review Letters2019
A-site Partially Ordered La0.5Y0.5FeO3 and its Multiferroic CharacteristicsApplied Physics Letters2019
Order-disorder transition in the prototypical antiferroelectric PbZrO3Physical Review B2019
Electric-Field Control of Magnetization, Jahn-Teller Distortion, and Orbital Ordering in Ferroelectric FerromagnetsPhysical Review Letters2019
Designing Multifunctionality via Assembling Dissimilar Materials: Epitaxial AlN/ScN SuperlatticesPhysical Review Letters2019
Symmetry modulation and enhanced multiferroic characteristics in Bi1-xNdxFeO3 ceramicsAdvanced Functional Materials2019
Deterministic switching of ferroelectric bubble nanodomainsAdvanced Functional Materials2019
Magnetic Interactions in BiFeO3: a First-Principles StudyPhysical Review B2019
Strain engineering of electro-optic constants in ferroelectric materialsNPJ Computational Materials2019
Prediction of a novel topological multidefect ground statePHYSICAL REVIEW B2019
Temperature dependence of polar modes in hybrid improper ferroelectricsPHYSICAL REVIEW B2019
Novel Dynamical Magnetoelectric Effects in Multiferroic BiFeO3Physical Review Letters2019
Strain engineering of electro-optic constants in ferroelectric materials (vol 5, 6, 2019)NPJ Computational Materials2019
Giant resistive switching in mixed phase BiFeO3 via phase population controlNANOSCALE2018
Displacement Current in Domain Walls of Bismuth FerriteNPJ COMPUTATIONAL MATERIALS2018
Giant electrocaloric response in the prototypical Pb(Mg,Nb)O-3 relaxor ferroelectric from atomistic simulationsPHYSICAL REVIEW B2018
Temperature and electric field control of the bandgap in electrotoroidic nanocomposites by large-scale ab initio methodsFERROELECTRICS2018
Flexible polarization rotation at the ferroelectric/metal interface as a seed for domain nucleationPHYSICAL REVIEW B2018
Tailoring properties of hybrid perovskites by domain-width engineering with charged wallsNPJ Computational Materials2018
Flexible polarization rotation at the ferroelectric/metal interface as a seed for domain nucleationPhysical Review B2018
Polarization switching in the PbMg1/3Nb2/3O3 relaxor ferroelectric: An atomistic effective Hamiltonian studyPhysical Review B2018
Revisiting spin cycloids in multiferroic BiFeO3PHYSICAL REVIEW B2018
Giant resistive switching in mixed phase BiFeO(3)via phase population control (vol 10, pg 17629, 2018)NANOSCALE2018
Interplay between Kitaev interaction and single ion anisotropy in ferromagnetic CrI3 and CrGeTe3 monolayersNPJ COMPUTATIONAL MATERIALS2018
Structural and magnetic transitions accompanied by large responses in epitaxial Sr0.5Ba0.5MnO3 filmsPHYSICAL REVIEW MATERIALS2018
Novel type of ferroelectricity in brownmillerite structures: A first-principles studyPHYSICAL REVIEW MATERIALS2018
Polarization switching in the PbMg1/3Nb2/3O3 relaxor ferroelectric: An atomistic effective Hamiltonian studyPHYSICAL REVIEW B2018
Large scale Hybrid Monte Carlo simulations for structure and property predictionNPJ Computational Materials2018
Quantum-fluctuation-stabilized orthorhombic ferroelectric ground state in lead-free piezoelectric (Ba, Ca)(Zr, Ti)O-3PHYSICAL REVIEW B2018
Energetics of oxygen-octahedra rotations in perovskite oxides from first principlesPhysical Review B2018
Photostriction and elasto-optic response in multiferroics and ferroelectrics from first principlesJournal of Physics: Condensed Matter2018
Structural phases arising from reconstructive and isostructural transitions in high-melting-point oxides under hydrostatic pressure: a first-principles studyPhysical Review B Rapid Communications2018
Interface reconstruction with emerging charge ordering in hexagonal manganiteScience Advances2018
Topological Defects with Distinct Dipole Configurations in PbTiO3/SrTiO3 Multilayer FilmsPhysical Review Letters2018
Understanding and revisiting the most complex perovskite system via atomistic simulationsPhysical Review B2018
Intrinsic Origin of Enhancement of Ferroelectricity in SnTe Ultrathin FilmsPHYSICAL REVIEW LETTERS2018
Designing switchable near room-temperature multiferroics via the discovery of a novel magnetoelectric couplingNew Journal of Physics2018
Pinched Hysteresis Loop in Defect-Free MaterialsPhysical Review B2017 (In Press)
Vacancies and holes in bulk and at 180 degrees domain walls in lead titanateJournal of Physics - Condensed Matter2017
Novel multiferroic phases and phenomena in epitaxial (111) BiFeO3 filmsAdvanced Electronic Materials2017
Nanoscale Bubble Domains and Topological Transitions in Ultrathin Ferroelectric FilmsAdvanced Materials2017
Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxidesPhysical Review B2017
Creating a low-symmetry insulating, ferroelectric, and antiferromagnetic material from a high-symmetrical metallic ferromagnet via defect engineering: The case of LaBaCo2O5+delta compoundsPhysical Review B2017
Intrinsic polarization switching mechanisms in BiFeO3Physical Review B2017
Fluctuations and Topological Defects in Proper Ferroelectric CrystalsPhysical Review Letters2017
Properties of rare-earth iron garnets from first principlesPhysical Review B2017
Improper electric polarization in simple perovskite oxides with two magnetic sublatticesNature Communications2017
Dependence of the Electronic and Optical Properties of Methylammonium Lead Triiodide on Ferroelectric Polarization Directions and Domains: A First Principles Computational StudyJournal of Physical Chemistry C2017
Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O3Nature Communications2017
Dynamics of antipolar distortionsnpj Computational Materials2017
Emergent Berezinskii-Kosterlitz-Thouless phase in low-dimensional ferroelectricsPhysical Review Letters2017
Rules and mechanisms governing octahedral tilts in perovskites under pressurePhysical Review B2017
Ab-initio approach to photostriction in classical ferroelectric materialPhysical Review B2017
Electrocaloric effects in the lead-free Ba(Zr,Ti)O$_{3}$ relaxor ferroelectric from atomistic simulationsPhysical Review B2017
Learning through ferroelectric domain dynamics in solid-state synapsesNature Communications2017
Toy model for uncommon spin-orbit-driven spin-torque termsJournal of Physics - Condensed Matter2017
Pressure-induced multiferroics via pseudo Jahn-Teller effects and novel couplingsAdvanced Functional Materials2017
Designing lead-free antiferroelectrics for energy storageNature Communications2017
Ab initio approach to photostriction in classical ferroelectric materialsPHYSICAL REVIEW B2017
Electrocaloric effects in the lead- free Ba(Zr, Ti)O-3 relaxor ferroelectric from atomistic simulationsPHYSICAL REVIEW B2017
Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O-3NATURE COMMUNICATIONS2017
Ferroelectric Vortices and Related ConfigurationsInvited Review in Nanoscale Ferroelectrics and Multiferroics: Key Processing and Characterization Issues, and Nanoscale Effects2016
New relativistic Hamiltonian: the Angular MagnetoElectric couplingProc. SPIE Spintronics IX2016
Special quasirandom structures for perovskite solid solutionsJournal of Physics: Condensed Matter2016
Atomistic mechanism leading to complex antiferroelectric and incommensurate perovskitesPhysical Review B2016
Electrical Control of Chiral Phases in Electrotoroidic NanocompositesAdvanced Electronic Materials2016
Towards multicaloric effect with ferroelectricsPhysical Review B2016
Chemical strain-dependent two-dimensional transport at RAlO3/SrTiO3 interfaces (R = La, Nd, Sm, and Gd)Physical Review B2016
Simulating the Radio-Frequency Dielectric Response of Relaxor Ferroelectrics: Combination of Coarse-Grained Hamiltonians and Kinetic Monte Carlo SimulationsPhysical Review Letters2016
Photostriction in Ferroelectrics from Density Functional TheoryPhysical Review Letters2016
Wang-Landau Monte Carlo formalism applied to ferroelectricsPhysical Review B2016
Room-temperature paramagnetoelectric effect in magnetoelectric multiferroics Pb(Fe1/2Nb1/2)O-3 and its solid solution with PbTiO3Journal of Materials Science2016
A multiferroic on the brink: Uncovering the nuances of strain-induced transitions in BiFeO3Applied Physics Reviews2016
Large elasto-optic effect and reversible electrochromism in multiferroic BiFeO3Nature Communications2016
Frustration and Self-Ordering of Topological Defects in FerroelectricsPhysical Review Letters2016
Topological Point Defects in Relaxor FerroelectricsPhysical Review Letters2016
Subterahertz dielectric relaxation in lead-free Ba(Zr,Ti)O-3 relaxor ferroelectricsNature Communications2016
Origin of the magnetization and compensation temperature in rare-earth orthoferrites and orthochromatesPhysical Review B2016
Structural Phase Transition and Material Properties of Few-Layer MonochalcogenidesPhysical Review Letters2016
Systematic pseudopotentials from reference eigenvalue sets for DFT calculationsComputational Materials Science2015
Prediction of a stable post-post-perovskite structure from first principlesPhysical Review B2015
Tuning and optimizing properties of ferroelectric films grown on a single substrate: a first-principles-based studyPhysical Review B2015
Electronic properties of electrical vortices in ferroelectric nanocomposites from large-scale ab-initio computationsNano Letters2015
Hybrid Improper Ferroelectricity in Multiferroic Superlattices: Finite-Temperature Properties and Electric-Field-Driven Switching of Polarization and MagnetizationAdvanced Functional Materials2015
Giant Negative Electrocaloric Effect in Antiferroelectric La-Doped Pb(ZrTi)O3 Thin Films Near Room TemperatureAdvanced Materials2015
First-principles-based effective Hamiltonian simulations of bulks and films made of lead-free Ba(Zr,Ti)O3 relaxor ferroelectricsJournal of Physics: Condensed Matter2015
Magnetoelectric effects via pentalinear interactionsPhysical Review B2015
Influence of epitaxial strain on elastocaloric effect in ferroelectric thin filmsApplied Physics Letters2015
Exploiting interfacial and size effects to construct oxide superlattices with robust and tunable magnetoelectric properties at room temperaturePhysical Review B2015
Dynamical magnetoelectric effects associated with ferroelectric domain wallsPhysical Review B2015
Strain effects on multiferroic BiFeO3 filmsComptes Rendus Physique2015
Predicting a Ferrimagnetic phase of Zn2FeOsO6 with Strong Magnetoelectric CouplingPhysical Review Letters2015
Discovery of stable skyrmionic state in ferroelectric nanocompositesNature Communications2015
Relativistic interaction Hamiltonian coupling the angular momentum of light and the electron spinPhysical Review B2015
Finite-temperature properties of the relaxor PbMg1/3Nb2/3O3 from atomistic simulationsPhysical Review B2015
Predicted energetics and properties of rare-earth ferrites films grown on cubic (111)- and hexagonal (0001)-oriented substratesJournal of Physics: Condensed Matter2015
Driving spin excitations by hydrostatic pressure in BiFeO3Physical Review Letters2015
Large Elasto-Optic Effect in Epitaxial PbTiO3 FilmsPhysical Review Letters2015
Predicted pressure-induced spin and electronic transition in double perovskite R2CoMnO 6 ( R = rare-earth ion)Journal of Physics: Condensed Matter2015
Nanodomains and nanometer-scale disorder in multiferroic bismuth ferrite single crystalsActa Materialia2015
Anomalous properties of hexagonal rare-earth ferrites from first principlesPhysical Review B2014
Properties of hydrofluorinated carbon- and boron nitride-based nanofilms: A first-principles studyPhysical Review B2014
Anomalous properties of antiferroelectric PbZrO3 under hydrostatic pressurePhysical Review B2014
Strain engineering of perovskite thin films using a single substrateJournal of physics. Condensed matter : an Institute of Physics journal2014
Prediction of novel interface-driven spintronic effectsJournal of physics. Condensed matter : an Institute of Physics journal2014
Fano resonance and dipolar relaxation in lead-free relaxorsNature Communications2014
Structural, magnetic, and electronic properties of GdTiO3 Mott insulator thin films grown by pulsed laser depositionApplied Physics Letters2014
Revisiting galvanomagnetic effects in conducting ferromagnetsJournal of Physics - Condensed Matter2014
Effects of chemical and hydrostatic pressures on structural, magnetic, and electronic properties of R 2NiMnO 6(R=rare-earth ion) double perovskitesPhysical Review B2014
Creating multiferroics with large tunable electrical polarization from paraelectric rare-earth orthoferrites.Journal of Physics - Condensed Matter2014
Near room-temperature multiferroic materials with tunable ferromagnetic and electrical propertiesNature Communications2014
Giant Room-Temperature Elastocaloric Effect in Ferroelectric Ultrathin FilmsAdvanced Materials2014
Terahertz dynamics of ferroelectric vortices from first principlesPhysical Review B2014
Atomistic theory of hybrid improper ferroelectricity in perovskitesPhysical Review B2014
Ultrafast Switching of the Electric Polarization and Magnetic Chirality in BiFeO3 by an Electric FieldPhysical Review Letters2014
First-principles study of the multimode antiferroelectric transition in PbZrO3Physical Review B2014
Control of ferroelectricity and magnetism in multi-ferroic BiFeO3 by epitaxial strainPhilosophical Transactions of the Royal Society A2014
Quantum Anomalous Hall Effect in Graphene Proximity Coupled to an Antiferromagnetic InsulatorPhysical Review Letters2014
The stabilization of a single domain in free-standing ferroelectric nanocrystalsJournal of Physics - Condensed Matter2014
Effects of a rotating electric field on the properties of epitaxial (001) Pb(Zr, Ti)O-3 ultrathin film: a first-principles-based studyJournal of Physics - Condensed Matter2014
Strain-induced control of domain wall morphology in ultrathin PbTiO 3 filmsPhysical Review B2014
Finite-Temperature Properties of Rare-Earth-Substituted BiFeO3 Multiferroic Solid SolutionsAdvanced Functional Materials2014
Prediction of a Novel Magnetoelectric Switching Mechanism in MultiferroicsPhysical Review Letters2014
Magnetoelectric signature in the magnetic properties of antiferromagnetic multiferroics: Atomistic simulations and phenomenologyPhysical Review B2013
Universal collaborative couplings between oxygen-octahedral rotations and antiferroelectric distortions in perovskitesPhysical Review B2013
Terahertz Dielectric Response and Coupled Dynamics of Ferroelectrics and Multiferroics from Effective Hamiltonian SimulationsInternational Journal of Modern Physics B2013
Effect of chemical pressure, misfit strain and hydrostatic pressure on structural and magnetic behaviors of rare-earth orthochromatesJournal of Physics: Condensed Matter2013
Crafting the magnonic and spintronic response of BiFeO3 films by epitaxial strainNature Materials2013
Properties of Epitaxial Films Made of Relaxor FerroelectricsPhysical Review Letters2013
Emergence of central mode in the paraelectric phase of ferroelectric perovskitesMRS Communications2013
Effect of central mode on the dielectric tunability of ferroelectrics near room temperature: a first-principle-based studyJournal of Physics: Condensed Matter2013
Novel Nanoscale Twinned Phases in Perovskite OxidesAdvanced Functional Materials2013
Elastic excitations in BaTiO3 single crystals and ceramics: Mobile domain boundaries and polar nanoregions observed by resonant ultrasonic spectroscopyPhysical Review B2013
Predicted Coupling of the Electromagnetic Angular Momentum Density with Magnetic MomentsPhysical Review Letters2013
Ferroelectric Domains in Multiferroic BiFeO3 Films under Epitaxial StrainsPhysical Review Letters2013
Field-Induced Percolation of Polar Nanoregions in Relaxor FerroelectricsPhysical Review Letters2013
Full field electron spectromicroscopy applied to ferroelectric materialsJournal of Applied Physics2013
Natural optical activity and its control by electric field in electrotoroidic systemsPhysical Review B2013
Spin switching and magnetization reversal in single-crystal NdFeO3Physical Review B2013
Multidomains made of different structural phases in multiferroic BiFeO3: A first-principles-based studyPhysical Review B2013
Effect of Chemical and Hydrostatic Pressures on Structural and Magnetic Properties of Rare-earth Orthoferrites: a First-principles StudyJournal of Physics: Condensed Matter2013
Coupling of the angular momentum density with magnetic moments explains the intrinsic anomalous Hall effectPhysical Review B2013
Strain dependence of polarization and piezoelectric response in epitaxial BiFeO3 thin filmsJournal of Physics-Condensed Matter2012
Low-frequency coupled modes in disordered Pb(Zr,Ti)O-3 solid solutions from first principlesPhysical Review B2012
Revisiting Properties of Ferroelectric and Multiferroic Thin Films under Tensile Strain from First PrinciplesPhysical Review Letters2012
Study of strain effect on in-plane polarization in epitaxial BiFeO 3 thin films using planar electrodesPhysical Review B2012
Epitaxial short-period PbTiO 3/BiFeO 3 superlattices studied by first-principles calculationsPhysical Review B2012
Understanding and Revisiting Properties of EuTiO3 Bulk Material and Films from First PrinciplesPhysical Review Letters2012
Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin films using planar electrodesPhysical Review B2012
Electronic transition from graphite to graphene via controlled movement of the top layer with scanning tunneling microscopyPhysical Review B2012
Atomistic Molecular Dynamic Simulations of MultiferroicsPhysical Review Letters2012
Domain evolution in epitaxial (001) Pb(Zr,Ti)O-3 ultrathin films under an electric field applied along the [111] directionPhysical Review B2012
Magnetic Cycloid of BiFeO3 from Atomistic SimulationsPhysical Review Letters2012
Novel complex phenomena in ferroelectric nanocompositesJournal of Physics-Condensed Matter2012
A simple law governing coupled magnetic orders in perovskitesJournal of Physics-Condensed Matter2012
Thickness-Dependent Polarization of Strained BiFeO3 Films with Constant TetragonalityPhysical Review Letters2012
Atomic control of strain in freestanding graphenePhysical Review B2012
A pathway between Bernal and rhombohedral stacked graphene layers with scanning tunneling microscopyApplied Physics Letters2012
Ab initio study of the factors affecting the ground state of rare-earth nickelatesPhysical Review B2012
New scanning tunneling microscopy technique enables systematic study of the unique electronic transition from graphite to grapheneCarbon2012
Enhanced electric conductivity at ferroelectric vortex cores in BiFeO3Nature Physics2012
Giant direct magnetoelectric effect in strained multiferroic heterostructuresPhysical Review B2012
Finite-temperature flexoelectricity in ferroelectric thin films from first principlesPhysical Review B2012
Finite-Temperature Properties of Ba(Zr, Ti)O-3 Relaxors from First PrinciplesPhysical Review Letters2012
Magnetoelectricity in BiFeO3 films: First-principles-based computations and phenomenologyPhysical Review B2011
Fermi Resonance Involving Nonlinear Dynamical Couplings in Pb(Zr, Ti)O-3 Solid SolutionsPhysical Review Letters2011
Multiferroic Phase Transition near Room Temperature in BiFeO3 FilmsPhysical Review Letters2011
Geometric frustration in compositionally modulated ferroelectricsNature2011
Coexistence of ferroelectric triclinic phases in highly strained BiFeO3 filmsPhysical Review B2011
Epitaxial Pb(Zr, Ti)O-3 Ultrathin Films under Open-Circuit Electrical Boundary ConditionsPhysical Review Letters2011
Dynamical coupling in Pb(Zr,Ti)O-3 solid solutions from first principlesPhysical Review B2011
Phase Transitions in Epitaxial (-110) BiFeO3 Films from First PrinciplesPhysical Review Letters2011
BiFeO3 Films under Tensile Epitaxial Strain from First PrinciplesPhysical Review Letters2011
Giant surface charge density of graphene resolved from scanning tunneling microscopy and first-principles theoryPhysical Review B2011
Domain structure and in-plane switching in a highly strained Bi0.9Sm0.1FeO3 filmApplied Physics Letters2011
Shape-induced phase transition of domain patterns in ferroelectric plateletsPhysical Review B2011
Properties of epitaxial (110) BaTiO3 films from first principlesPhysical Review B2011
Prediction of the Magnetotoroidic Effect from Atomistic SimulationsPhysical Review Letters2011
Size effects in multiferroic BiFeO3 nanodots: A first-principles-based studyPhysical Review B2010
Diffuse phase transitions in ferroelectric ultrathin films from first principlesPhysical Review B2010
Dependence of Curie temperature on the thickness of an ultrathin ferroelectric filmPhysical Review B2010
Competing phases in BiFeO3 thin films under compressive epitaxial strainPhysical Review B2010
Chiral Patterns of Tilting of Oxygen Octahedra in Zero-Dimensional Ferroelectrics and Multiferroics: A First Principle-Based StudyPhysical Review Letters2010
Bridging Multiferroic Phase Transitions by Epitaxial Strain in BiFeO3Physical Review Letters2010
Ferromagnetism in multiferroic BiFeO3 films: A first-principles-based studyPhysical Review B2010
Lattice dynamics in Ba0.7Sr0.3TiO3: study by THz and IR spectroscopy and ab initio simulationsPhase Transitions2010
Low-Symmetry Phases in Ferroelectric NanowiresNano Letters2010
Low-symmetry phases and loss of relaxation in nanosized lead scandium niobatePhysical Review B2010
Kittel Law in BiFeO3 Ultrathin Films: A First-Principles-Based StudyPhysical Review Letters2010
Intermediate temperature scale T-* in lead-based relaxor systemsPhysical Review B2009
Evidence for Room-Temperature Multiferroicity in a Compound with a Giant Axial RatioPhysical Review Letters2009
Hypertoroidal moment in complex dipolar structuresJournal of Materials Science2009
Broad-band dielectric spectroscopy and ferroelectric soft-mode response in the Ba0.6Sr0.4TiO3 solid solutionJournal of Physics-Condensed Matter2009
Electric Field Induced by Dynamical Change of Dipolar Configurations in FerromagnetsPhysical Review Letters2009
Erratum: Properties of multiferroic BiFeO3 under high magnetic fields from first principles (vol 79, 012101, 2009)Physical Review B2009
Electric-Field-Induced Paths in Multiferroic BiFeO3 from Atomistic SimulationsPhysical Review Letters2009
Critical Behavior in Ferroelectrics from First PrinciplesPhysical Review Letters2009
Nature of the ferroelectric phase transition in multiferroic BiFeO3 from first principlesPhysical Review B2009
Phase diagrams of epitaxial Pb(Zr, Ti)O-3 ultrathin films from first principlesPhysical Review B2009
Properties of multiferroic BiFeO3 under high magnetic fields from first principlesPhysical Review B2009
Discovery of Incipient Ferrotoroidics from Atomistic SimulationsPhysical Review Letters2009
Unusual static and dynamical characteristics of domain evolution in ferroelectric superlatticesPhysical Review B2009
Terahertz dielectric response of cubic BaTiO(3)Physical Review B2008
Phase stability and structural temperature dependence in powdered multiferroic BiFeO(3)Physical Review B2008
Nature of Dynamical Coupling between Polarization and Strain in Nanoscale Ferroelectrics from First PrinciplesPhysical Review Letters2008
Original properties of dipole vortices in zero-dimensional ferroelectricsJournal of Physics-Condensed Matter2008
Order parameter in complex dipolar structures: Microscopic modelingPhysical Review B2008
Dependence of polarization on epitaxial strain in ferroelectric ultrathin films from first principlesPhysical Review B2008
Controlling double vortex states in low-dimensional dipolar systemsPhysical Review Letters2008
Control of vortices by homogeneous fields in asymmetric ferroelectric and ferromagnetic ringsPhysical Review Letters2008
Coexistence of the Phonon and Relaxation Soft Modes in the Terahertz Dielectric Response of Tetragonal BaTiO(3)Physical Review Letters2008
Electrocaloric effect in bulk and low-dimensional ferroelectrics from first principlesPhysical Review B2008
Infrared and THz Soft-Mode Spectroscopy of (Ba,Sr)TiO3 CeramicsFerroelectrics2008
High-Pressure Effect on PbTiO(3): An Investigation by Raman and X-Ray Scattering up to 63 GPaPhysical Review Letters2008
Influence of crystallographic steps on properties of ferroelectric ultrathin films: An ab initio studyApplied Physics Letters2007
Effects of vacancies on the properties of disordered ferroelectrics: A first-principles studyPhysical Review B2007
Characteristics and signatures of dipole vortices in ferroelectric nanodots: First-principles-based simulations and analytical expressionsPhysical Review B2007
Finite-temperature properties of multiferroic BiFeO(3)Physical Review Letters2007
Dielectric anomalies in ferroelectric nanostructuresPhysical Review Letters2007
Domain evolution of BaTiO3 ultrathin films under an electric field: A first-principles studyPhysical Review B2007
Phase diagrams of BaTiO3/SrTiO3 superlattices from first principlesPhysical Review B2007
Tensors in ferroelectric nanoparticles: First-principles-based simulationsPhysical Review B2007
The nature of ferroelectricity under pressurePhase Transitions2007
Thickness dependency of 180 degrees stripe domains in ferroelectric ultrathin films: A first-principles-based studyApplied Physics Letters2007
Theoretical phase diagram of ultrathin films of incipient ferroelectricsApplied Physics Letters2007
Relation between dielectric responses and polarization fluctuations in ferroelectric nanostructuresPhysical Review B2007
Asymmetric screening of the depolarizing field in a ferroelectric thin filmPhysical Review B2007
Polar and chemical order in relation with morphotropic phase boundaries and relaxor behaviour in bulk and nanostructured PSN-PTPhase Transitions2006
Properties of ferroelectric nanodots embedded in a polarizable medium: Atomistic simulationsPhysical Review Letters2006
Properties of ferroelectric ultrathin films from first principlesJournal of Materials Science2006
Symmetry breaking at the nanoscale and diffuse transitions in ferroelectrics: A comparative study of PbSc(1/2)Nb(1/2)O(3) and PbZr(0.6)Ti(0.4)O(3)Physical Review B2006
Phase diagram of Pb(Zr,Ti)O-3 solid solutions from first principlesPhysical Review Letters2006
Electric-field-induced domain evolution in ferroelectric ultrathin filmsPhysical Review Letters2006
Finite-temperature properties of (Ba,Sr)TiO(3) systems from atomistic simulationsPhysical Review B2006
Influence of the growth direction on properties of ferroelectric ultrathin filmsPhysical Review B2006
Controlling toroidal moment by means of an inhomogeneous static field: An ab initio studyPhysical Review Letters2006
Low-dimensional ferroelectrics under different electrical and mechanical boundary conditions: Atomistic simulationsPhysical Review B2005
Isostructural phase transitions in GaN/ScN and InN/ScN superlatticesPhysical Review B2005
Ferroelectricity of perovskites under pressurePhysical Review Letters2005
First Principles Study of Size Effect in BaTiO3 Ultrathin FilmsMRS Online Proceedings Library2005
Phase diagrams of epitaxial BaTiO3 ultrathin films from first principlesApplied Physics Letters2005
Modelling of nanoscale ferroelectrics from atomistic simulationsCurrent Opinion in Solid State & Materials Science2005
Properties of GaN/ScN and InN/ScN superlattices from first principlesPhysical Review B2005
Study of potassium-sodium-niobate alloys: A combined experimental and theoretical approachJournal De Physique Iv2005
Morphotropic phase boundary of heterovalent perovskite solid solutions: Experimental and theoretical investigation of PbSc1/2Nb1/2O3-PbTiO3Physical Review B2005
Atomistic treatment of depolarizing energy and field in ferroelectric nanostructuresPhysical Review B2005
Combined theoretical and experimental study of the low-temperature properties of BaZrO3Physical Review B2005
Properties of Pb(Zr,Ti)O-3 ultrathin films under stress-free and open-circuit electrical boundary conditionsPhysical Review B2004
High-pressure phases in highly piezoelectric PbZr0.52Ti0.48O3Physical Review B2004
Unusual phase transitions in ferroelectric nanodisks and nanorodsNature2004
Ultrathin films of ferroelectric solid solutions under a residual depolarizing fieldPhysical Review Letters2004
Atomistic simulations of the incipient ferroelectric KTaO3Physical Review B2004
Effects of atomic short-range order on the properties of perovskite alloys in their morphotropic phase boundaryPhysical Review Letters2003
Off-center atomic displacements in BaTiO3 quantum dotsFundamental Physics of Ferroelectrics2003
Cationic-competition-induced monoclinic phase in high piezoelectric (PbSc1/2Nb1/2O3)(1-x)-(PbTiO3)(x) compoundsPhysical Review B2003
First-principles study of (BiScO3)(1-x)-(PbTiO3)(x) piezoelectric alloysPhysical Review B2003
First-principles determination of electromechanical responses of solids under finite electric fieldsPhysical Review Letters2003
Ferroelectricity in barium titanate quantum dots and wiresPhysical Review Letters2003
Unusual thermodynamic properties and nonergodicity in ferroelectric superlatticesPhysical Review Letters2003
Strained hexagonal ScN: A material with unusual structural and optical propertiesPhysical Review Letters2003
Electronic and magnetic properties of MnN versus MnAsApplied Physics Letters2003
Properties of vacancy-rich ordered (A,[ ])Nb2O6 perovskitesPhysical Review B2002
Effects of antiphase boundaries on the structural properties of highly ordered perovskite solid solutionsFundamental Physics of Ferroelectrics 20022002
Successes and predictions of a pseudopotential approach in anion-mixed nitridesProgress in Semiconductor Materials for Optoelectronic Applications2002
Global and secondary ferroelectric minima in ordered Pb(Sc0.25Nb0.25Ti0.5)O-3 alloysApplied Physics Letters2002
Pseudopotential theory of dilute III-V nitridesSemiconductor Science and Technology2002
Properties of hexagonal ScN versus wurtzite GaN and InNPhysical Review B2002
Low-temperature properties of Pb(Zr1-xTix)O-3 solid solutions near the morphotropic phase boundaryFerroelectrics2002
Optical phonons associated with the low-temperature ferroelectric properties of perovskite solid solutionsPhysical Review B2002
Piezoelectric coefficients of complex semiconductor alloys from first-principles: The case of Ga1-xInxNPhysical Review Letters2002
Planar defects and incommensurate phases in highly ordered perovskite solid solutionsPhysical Review Letters2002
Piezoelectricity of ferroelectric perovskites from first principlesCurrent Opinion in Solid State & Materials Science2002
Ab initio design of perovskite alloys with predetermined properties: The case of Pb(Sc0.5Nb0.5)O-3Physical Review Letters2001
Piezoelectricity of ordered (Ga0.5In0.5)N alloysApplied Physics Letters2001
Temperature-dependent behavior of PbSc1/2Nb1/2O3 from first PrinciplesFundamental Physics of Ferroelectrics 20012001
Anomalous properties in ferroelectrics induced by atomic orderingNature2001
Electric-field induced polarization paths in Pb(Zr1-xTix)O-3 alloysPhysical Review B2001
Structural properties of sinusoidally modulated Pb(Sc,Nb)O-3 alloys at finite temperatureFundamental Physics of Ferroelectrics 20012001
Composition modulation away from the polar direction in Pb(Sc,Nb)O-3 alloysPhysical Review B2001
Virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskitesPhysical Review B2000
Quantum mechanical effects in (Ga,In)(As,N) alloysPhysical Review B2000
Finite-temperature investigation of ferroelectric solid solutions from first-principles: Application to the structural properties of Pb(Zr0.5Ti0.5)O-3Fundamental Physics of Ferroelectrics 20002000
Unusual evolution of the lowest unoccupied state in Ga(As0.5-yP0.5-yN2y)Physical Review B2000
Finite-temperature properties of disordered and ordered Pb(Sc0.5Nb0.5)O-3 alloysApplied Physics Letters2000
Comparison of electromechanical properties of BaTiO3 between LAPW and a model HamiltonianFundamental Physics of Ferroelectrics 20002000
Finite-temperature properties of Pb(Zr1-xTix)O-3 alloys from first principlesPhysical Review Letters2000
Microscopic view of a two-dimensional lattice-gas Ising system within the grand canonical ensemblePhysical Review Letters2000
Intrinsic piezoelectric response in perovskite alloys: PMN-PT versus PZTPhysical Review Letters1999
Band gaps of lattice-matched (Ga,In)(As,N) alloysApplied Physics Letters1999
Resonant hole localization and anomalous optical bowing in InGaN alloysApplied Physics Letters1999
Giant linear magnetoelectric effect at the morphotropic phase boundary of epitaxial Sr0.5Ba0.5MnO3 filmsPHYSICAL REVIEW B
Topology turns the crank on a magnetoelectric switchNature