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RESEARCH PAPER · npj Computational Materials · 2017

Understanding and designing magnetoelectric heterostructures guided by computation: progresses, remaining questions, and perspectives

Jia‐Mian Hu, Chun‐Gang Duan, Ce‐Wen Nan, Long‐Qing Chen

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Understanding and designing magnetoelectric heterostructures guided by computation: progresses, remaining questions, and perspectivesOriginalOn the speed of piezostrain-mediated voltage-driven perpendicular magnetization reversal: a computational elastodynamics-micromagnetic phase-field study28Domain structures in circular ferroelectric nano-islands with charged defects: A Monte Carlo simulation8Voltage-driven charge-mediated fast 180 degree magnetization switching in nanoheterostructure at room temperature12A review on all-perovskite multiferroic tunnel junctions68Enhanced dielectric properties in Ba 0.85 Ca 0.15 Zr 0.10 Ti 0.90 O 3 /La 0.67 Ca 0.33 MnO 3 laminated composite19Strain-mediated magnetic response in La0.67Sr0.33MnO3/SrTiO3/La0.67Sr0.33MnO3/BaTiO3 structure8Solid-State Synapse Based on Magnetoelectrically Coupled Memristor71New routes to design vertically aligned multiferroic nanocomposites1Studies on magnetoelectric coupling in lead-free [(0.5) BCT-(0.5) BZT]-NiFe2O4 laminated composites at low and EMR frequencies39Tuning Interfacial Magnetic Ordering via Polarization Control in Ferroelectric SrTiO3/PbTiO3 Heterostructure19Review of multi-layered magnetoelectric composite materials and devices applications287Computer-Aided Screening of Conjugated Polymers for Organic Solar Cell: Classification by Random Forest236Electric-Field-Controlled Nonvolatile Magnetization Rotation and Magnetoresistance Effect in Co/Cu/Ni Spin Valves on Piezoelectric Substrates13Perspective: Magnetoelectric switching in thin film multiferroic heterostructures63Magnetic properties of L 1 0 FePt thin film influenced by recoverable strains stemmed from the polarization of Pb(Mg 1/3 Nb 2/3 )O 3 –PbTiO 3 substrate3Identifying an efficient, thermally robust inorganic phosphor host via machine learning362Switching the chirality of a magnetic vortex deterministically with an electric field14Modeling and predicting responses of magnetoelectric materials2Influence of deposition procedure on the properties of multiferroic BiFeO3-based thin films deposited by radio frequency sputtering10Atomic-scale mapping of interface reconstructions in multiferroic heterostructures25Modeling of stress-regulated AND (OR) logic gate based on flipping preference of tilted nanomagnet1Theory of tunable magnetoelectric inductors in ferrite-piezoelectric layered composite24First-Principles Study of Magnetoelectric Coupling at Fe/BiFeO3(001) Interfaces13Switching on superferromagnetism9Investigation of electrical transport and magnetoelectric coupling of codoped ferrite–PbZr0.58Ti0.42O3 multiferroic nanocomposites8Understanding, Predicting, and Designing Ferroelectric Domain Structures and Switching Guided by the Phase-Field Method173Perspective: voltage control of magnetization in multiferroic heterostructures23Enhanced low-frequency magnetic field sensitivity in magnetoelectric composite with amplitude modulation method28Lattice and spin dynamics in multiferroic BiFeO3 and RMnO321Using the finite element method for the investigation of the magnetoelectric effect in 2-2 laminar composites1Mechanical-Resonance-Enhanced Thin-Film Magnetoelectric Heterostructures for Magnetometers, Mechanical Antennas, Tunable RF Inductors, and Filters81Electric-field control of the remanent-magnetic-state relaxation in a piezoelectric-ferromagnetic PZT-5%Fe3O4 composite3Opportunities and challenges for magnetoelectric devices141Magnetoelectric Effect at the Ni/HfO2 Interface Induced by Ferroelectric Polarization30Polarization Control of the Interface Ferromagnetic to Antiferromagnetic Phase Transition in Co/Pb(Zr,Ti)O38Stabilization of ε−Fe2O3 epitaxial layer on MgO(111)/GaN via an intermediate γ -phase9Observation of Strong Polarization Enhancement in Ferroelectric Tunnel Junctions27Electric-field-controlled magnetization switching in multiferroic heterostructures containing interactive magnetic nanoislands6Colloidal magnetic metal oxide nanocrystals and their applications6Computational study on microstructural optimization of multiferroic magnetoelectric composites16Progress in BiFeO 3 -based heterostructures: materials, properties and applications148Room‐Temperature Magnetoelectric Response in Molecular–Ionic Ferroelectric‐Based Magnetoelectric Composites9Giant magnetoelectric effect in perpendicularly magnetized Pt/Co/Ta ultrathin films on a ferroelectric substrate19Magnetic materials for magnetoelectric coupling: An unexpected journey13Versatile power and energy conversion of magnetoelectric composite materials with high efficiency via electromechanical resonance70Strain gradient mediated magnetoelectricity in Fe-Ga/P(VDF-TrFE) multiferroic bilayers integrated on silicon23A thermodynamic study of phase transitions and electrocaloric properties of K0.5Na0.5NbO3 single crystals12Designing bioinspired brick-and-mortar composites using machine learning and statistical learning43Computational design and development of high-performance polymer-composites as new encapsulant material for concentrated PV modules13Studies of structural and electrical properties of lead-free ceramic: Bi(Ba0.25Ti0.25Fe0.5)O33Comparison of structure and multiferroic performances of bilayer and trilayer multiferroic heterostructures7Magnetoelectric Composites: Applications, Coupling Mechanisms, and Future Directions179Epitaxial Stabilization of Single-Crystal Multiferroic YCrO3 Thin Films10New spin-resolved thermal radiation laws for nonreciprocal bianisotropic media88Applications of Strain-Coupled Magnetoelectric Composites7Multiferroic heterostructures for spintronics31Electrode effects on the observability of destructive quantum interference in single-molecule junctions7Magnetoelectrics and Multiferroics0Magnetoelectrics and Multiferroics2Phase-field simulation of magnetic microstructure and domain switching in (Tb0.27Dy0.73)Fe2 single crystal7Correlation between crystal structure and magnetism in PLD grown epitaxial films of ε-Fe2O3 on GaN16Strain-Mediated Giant Magnetoelectric Coupling in a Crystalline Multiferroic Heterostructure46Giant magnetoelectric effect in an L21-ordered Co2FeSi/Pb(Mg1/3Nb2/3)O3-PbTiO3 multiferroic heterostructure17Tailoring the multiferroic properties in Ba0.85Ca0.15Zr0.1Ti0.9O3/La0.7Sr0.3MnO3 bilayer heterostructures using residual strain5Theory of surface-induced multiferroicity in magnetic materials, thin films, and multilayers4Review of Magnetoelectric Sensors98Effect of incorporation of magnetization in antiferromagnetic Cr2O3 by mechanically alloying with α-Fe nanoparticles2Enhanced dielectric response under applied magnetic field in 0–3 particulate composites of (1−x)PbZr0.95Ti0.05O3-(x)Ni0.7Zn0.3Fe2O47Tailored magnetoelectric coupling in magnetically oriented polymer-based iron fiber composite22Magnetoelectric Coupling at the Ni/Hf0.5Zr0.5O2 Interface38Component fraction effect on microstructure and properties of CoFe 2 O 4 −K 0.5 Na 0.5 NbO 3 composites3Magnetoelectrics and multiferroics: Materials and opportunities for energy-efficient spin-based memory and logic11The Study of Magnetoimpedance Effect for Magnetoelectric Laminate Composites with Different Magnetostrictive Layers11Power optimization of a magnetoelectric wireless power transfer system with volume constraint11Large magnetoelectric effect in BaFe12O19-(Ba0.85Ca0.15)(Zr0.1Ti0.9)O3 particulate composite22Reversal of the magnetoelectric effect at a ferromagnetic metal/ferroelectric interface induced by metal oxidation27Magnetoelectric ferrite nanocomposites1Converse Magnetoelectric Effect in Epitaxial Co₂MnSi/Pb(Mg1/3Nb2/3)O₃-PbTiO₃ Multiferroic Heterostructures4Magnetoelectricity in two-dimensional materials11Ferroic Transition Metal Oxide Nano‐heterostructures: From Fundamentals to Applications7Magnetoelectric coupling susceptibility in novel lead-free 0–3 type multiferroic particulate composites of (1-x)Na0.5Bi0.5TiO3 -(x)CoCr0.4Fe1.6O424In silico assessment of electrophysiological neuronal recordings mediated by magnetoelectric nanoparticles42Enhancing Converse Magnetoelectric Coupling Through Strain Engineering in Artificial Multiferroic Heterostructures13Epoxy-free fabrication techniques for layered/2-2 magnetoelectric composite: a review13Study of the crystal and magnetic structures of the quasi-one-dimensional iron-based superconductor BaFe₂Se₃0Ionic-triggered magnetoelectric coupling for magnetic sensing applications6Phase-field approach to evolution and interaction of twins in single crystal magnesium26Theoretical Understanding of Polar Topological Phase Transitions in Functional Oxide Heterostructures: A Review37Modelling of magnetoelectric nanoparticles for non-invasive brain stimulation: a computational study22Structural peculiarities of ε-Fe2O3/GaN epitaxial layers unveiled by high-resolution transmission electron microscopy and neutron reflectometry5Distinct magnetic contributions for magnetoelectric coupling at room temperature in perovskite PZT-PFN solid solutions2Technological Peculiarities of Epsilon Ferrite Epitaxial Stabilization by PLD2Search for Magnetoelectric Coupling at the 57Fe/Hf0.5Zr0.5O2 Interface Using Operando Synchrotron Mössbauer Spectroscopy7Theory of hard magnetic soft materials to create magnetoelectricity42Engineering exchange bias at the interface of self-polarized ultrathin ferroelectric BaTiO3 and ferromagnetic La0.67Sr0.33MnO30Insight into the mechanism of bidirectional magnetoelectric effects unveil cycloidal/uncompensated hybrid antiferromagnetic multiferroics1BaTiO3/NixZn1−xFe2O4 (x = 0, 0.5, 1) Composites Synthesized by Thermal Decomposition: Magnetic, Dielectric and Ferroelectric Properties4Converse magnetoelectric coupling coefficient greater than 10−6 s/m in perpendicularly magnetized Co/Pd multilayers on Pb(Mg 1/3 Nb 2/3 )O3-PbTiO38Effect of nano-size on magnetostriction of BiFeO3 and exceptional magnetoelectric coupling properties of BiFeO3_P(VDF-TrFE) polymer composite films for magnetic field sensor application8Strain-induced magnetic anisotropy in Heusler alloys studied from first principles9Growth and magnetoelectric effect of epitaxial Co3Mn films on piezoelectric Pb(Mg1/3Nb2/3)O3-PbTiO3(001)0Large room-temperature magnetodielectric effect in polyvinylidene fluoride-trifluoroethylene/La0.7Sr0.3MnO 3 (0-3) nanocomposite thin films1Full Antiferroelectric Performance and GMR Effect in Multiferroic La0.75Ba0.25Fe12O19 Ceramic0Exchange‐Interaction‐Like Behavior in Ferroelectric Bilayers15Orbital And Spin Effects for Learning the Classification of Magnetic Materials in Engineering Electromagnetics0Recent progress in flexible magnetoelectric composites and devices for next generation wearable electronics89Self‐biased magnetoelectric composite for energy harvesting30Efficient Electrical Manipulation of the Magnetization Process in an Epitaxially Controlled Co2FeSi/BaTiO3 Multiferroic Interface62D-Perovskite Multiferroics: Interface-Induced Magnetoelectric Effect in Perovskite-Based Multiferroic Superlattices3Transduction modality near instability in domain engineered relaxor ferroelectric single crystals6Phase field model for electric-thermal coupled discharge breakdown of polyimide nanocomposites under high frequency electrical stress8Metastable Co3Mn/Fe/Pb(Mg1/3Nb2/3)O3–PbTiO3 multiferroic heterostructures3Ferroelectric-Ferrite Composites for Enhanced Magnetoelectric Properties9Strain-induced specific orbital control in a Heusler alloy-based interfacial multiferroics15Strain and ferroelectric polarization influence on perpendicular magnetic anisotropy of CoFe3N/BaTiO3 heterostructure3Design of new-concept magnetomechanical devices by phase-field simulations7Metallofullerenol alleviates alcoholic liver damage via ROS clearance under static magnetic and electric fields11Relatively Low‐Frequency Magnetic Field Detection System Using Metglas/PZT‐5B Sensor2Ferroelectric-controlled magnetoelectric effect at the Cr I 3 / Hf O 2 interface2Controllable location-dependent frequency conversion based on space-time transformation optics1Magnetic-anisotropy modulation in multiferroic heterostructures by ferroelectric domains from first principles8Enhanced magnetoelectric coupling in two-dimensional hybrid multiferroic heterostructures12Artificial multiferroic heterostructures—electric field effects and their perspectives16Engineering exchange bias at the interface of self-polarized ultrathin ferroelectric Ba Ti O 3 and ferromagnetic La 0.67 Sr 0.33 Mn O 33Structural, Magnetic, and Dielectric Properties of Laser-Ablated CoFe2O4/BaTiO3 Bilayers Deposited over Highly Doped Si(100)5Artificial Control of Giant Converse Magnetoelectric Effect in Spintronic Multiferroic Heterostructure9Current advances in magnetoelectric composites with various interphase connectivity types25Perovskite phase formation in pure and Sm- and La-substituted BiFeO 3 thin films in isothermal and non-isothermal regimes2Large and multistate magnetoresistance in 2D van der Waals multiferroic tunnel junctions34Intrinsic magnetoelectric coupling induced by the flat bands in kagome van der Waals multiferroic heterostructures2Tuning electric polarization via exchange striction interaction in CaMn7O12 by Sr-doping0Supertetragonal BaSn O 3 -induced giant ferroelectricity in SrTi O 3 / BaSn O 3 superlattices1Piezoelectric strain-mediated control of the tunnel magnetoresistance effect in magnetic tunnel junctions with a Co2FeSi/V/PMN-PT multiferroic heterostructure2Generation and Annihilation of Local Magnetic Moments by an Electric Field4Prediction of intrinsic multiferroicity and large valley polarization in a layered Janus material7Correlating Structural Features and Physical Properties in (CH2)6/12(NH3)2CoCl4 Complexes: A Study of Thermal and Electronic Behaviors0Nonlinear mechanical behavior and multi-field coupling characteristics in polymer-based multiferroic composites under combined tension and bending1MEMS‐Based Magnetoelectric Antennas for Wireless Power Transmission in Brain‐Implantable Devices3Ferromagnetic moment in the magnetoelectric antiferromagnet Co 4 Ta 2 O 9 : Evidence of the P 1 magnetic space group1Strain Mediated Voltage Control of Magnetic Anisotropy and Magnetization Reversal in Bismuth-Substituted Yttrium Iron Garnet Films and Mesostructures3A review on unlocking the potential of lead-free materials-based energy harvesting systems for standalone electronics3Intrinsic magnetoelectric effects through PT symmetry breaking0Converse magnetoelectric coefficient response for 2D Rashba-gauge electronic systems under modulated Spin Orbit Field (SOF) coupling0(SrTiO3)2/(BiFeO3)4/(CaTiO3)2 superlattice ferroelectric tunnel junction memristor for memory behavior simulation0Voltage-induced Villari effect and hierarchical magnetization states in a ferroelectric-integrated metallic superlattice with perpendicular magnetic anisotropy0Electric-field control magnetism anisotropy of cobalt based on giant electromechanical effects of Gd-doped ceria thin film0Optimized Fe doping for improved electrical, magnetic and magnetoelectric performance in KNLNTS-BCTZ ceramics0Bioinspired Magnetic Vision Synapse for Near-Sensor In-Memory Magnetic Information Encoding0

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  37. Observation of Strong Polarization Enhancement in Ferroelectric Tunnel Junctions

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  38. Electric-field-controlled magnetization switching in multiferroic heterostructures containing interactive magnetic nanoislands

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  45. Versatile power and energy conversion of magnetoelectric composite materials with high efficiency via electromechanical resonance

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  46. Strain gradient mediated magnetoelectricity in Fe-Ga/P(VDF-TrFE) multiferroic bilayers integrated on silicon

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  47. A thermodynamic study of phase transitions and electrocaloric properties of K0.5Na0.5NbO3 single crystals

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  48. Designing bioinspired brick-and-mortar composites using machine learning and statistical learning

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