Advances in ab-initio theory of multiferroics

Orbital degrees of freedom as origin of magnetoelectric coupling in magnetite

(2012) Kunihiko Yamauchi et al.   PHYSICAL REVIEW B

Spin-phonon coupling effects in transition-metal perovskites: A DFT + Uand hybrid-functional study

(2012) Jiawang Hong et al.   PHYSICAL REVIEW B

Pseudo Jahn-Teller Origin of Perovskite Multiferroics, Magnetic-Ferroelectric Crossover, and Magnetoelectric Effects: Thed0−d10Problem

(2012) Isaac B. Bersuker   PHYSICAL REVIEW LETTERS

Strain control spin reorientation transition in DyFeO3/SrTiO3 epitaxial film

(2011) T.-Y. Khim et al.   APPLIED PHYSICS LETTERS

Continuously tunable magnetic phase transitions in the DyMn1−xFexO3 system

(2011) Fang Hong et al.   APPLIED PHYSICS LETTERS

Short-Range Layered A-Site Ordering in Double Perovskites NaLaBB′O6(B = Mn, Fe; B′ = Nb, Ta)

(2011) Walid Dachraoui et al.   CHEMISTRY OF MATERIALS

Theoretical Investigations on the Photoinduced Phase Transition Mechanism of Tetrathiafulvalene-p-chloranil

(2011) Yutaka Nakatsuka et al.   Journal of Chemical Theory and Computation

Surface Effects on Morin Transition, Exchange Bias, and Enchanced Spin Reorientation in Chemically Synthesized DyFeO3 Nanoparticles

(2011) Adhish Jaiswal et al.   Journal of Physical Chemistry C

Ab initioInvestigations of Fe2+/Fe3+Bond Dimerization and Ferroelectricity Induced by Intermediate Site/Bond-Centered Charge Ordering in Magnetite

(2011) Tetsuya Fukushima et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Coupling of three lattice instabilities

(2011) Philippe Ghosez et al.   NATURE MATERIALS

Interface-induced room-temperature multiferroicity in BaTiO3

(2011) S. Valencia et al.   NATURE MATERIALS

Large ferroelectric polarization in the new double perovskite NaLaMnWO6 induced by non-polar instabilities

(2011) T. Fukushima et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanism of ferroelectric instabilities in non-d0perovskites: LaCrO3versus CaMnO3

(2011) Claude Ederer et al.   PHYSICAL REVIEW B

Polar distortions in hydrogen-bonded organic ferroelectrics

(2011) Alessandro Stroppa et al.   PHYSICAL REVIEW B

Time-resolved imaging of magnetoelectric switching in multiferroic MnWO4

(2011) T. Hoffmann et al.   PHYSICAL REVIEW B

Mechanism of ferroelectricity ind3perovskites: A model study

(2011) Paolo Barone et al.   PHYSICAL REVIEW B

Ab initiostudy of proper topological ferroelectricity in layered perovskite La2Ti2O7

(2011) Jorge López-Pérez et al.   PHYSICAL REVIEW B

Spectral dependence of photoinduced spin precession in DyFeO3

(2011) Ryugo Iida et al.   PHYSICAL REVIEW B

Dielectric properties and magnetostriction of the collinear multiferroic spinel CdV2O4

(2011) G. Giovannetti et al.   PHYSICAL REVIEW B

High-TcFerroelectricity Emerging from Magnetic Degeneracy in Cupric Oxide

(2011) Gianluca Giovannetti et al.   PHYSICAL REVIEW LETTERS

Hybrid Improper Ferroelectricity: A Mechanism for Controllable Polarization-Magnetization Coupling

(2011) Nicole A. Benedek et al.   PHYSICAL REVIEW LETTERS

A new computer tool at the Bilbao Crystallographic Server to detect and characterize pseudosymmetry

(2011) Cesar Capillas et al.   ZEITSCHRIFT FUR KRISTALLOGRAPHIE

Mode crystallography of distorted structures

(2010) J. M. Perez-Mato et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Symmetry analysis of extinction rules in diffuse-scattering experiments

(2010) R. L. Withers et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Multiferroic Materials: The Attractive Approach of Metal-Organic Frameworks (MOFs)

(2010) Guillaume Rogez et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nanocheckerboard modulations in (NaNd)(MgW)O6

(2010) Mark W. Licurse et al.   APPLIED PHYSICS LETTERS

Spontaneous Superlattice Formation in the Doubly Ordered Perovskite KLaMnWO6

(2010) Susana Garcia-Martin et al.   CHEMISTRY OF MATERIALS

Lanthanum doped multiferroic DyFeO3: Structural and magnetic properties

(2010) Y. Du et al.   JOURNAL OF APPLIED PHYSICS

Cation ordering in perovskites

(2010) Graham King et al.   JOURNAL OF MATERIALS CHEMISTRY

Electrical polarization and orbital magnetization: the modern theories

(2010) Raffaele Resta   JOURNAL OF PHYSICS-CONDENSED MATTER

First-Principles Electronic-Structure Study for Organic Ferroelectric Tetrathiafulvalene–p-Bromanil

(2010) Shoji Ishibashi et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Above-room-temperature ferroelectricity in a single-component molecular crystal

(2010) Sachio Horiuchi et al.   NATURE

Enlightened pores

(2010) Matthew J. Rosseinsky   NATURE MATERIALS

Ferroelectricity in a one-dimensional organic quantum magnet

(2010) Fumitaka Kagawa et al.   Nature Physics

The multiferroic phase of DyFeO3: anab initiostudy

(2010) Alessandro Stroppa et al.   NEW JOURNAL OF PHYSICS

Hybrid functional study of proper and improper multiferroics

(2010) A. Stroppa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On multiferroicity of TTF-CA molecular crystal

(2010) Michael Filatov   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electron-lattice instabilities suppress cuprate-like electronic structures inSrFeO3/SrTiO3superlattices

(2010) James M. Rondinelli et al.   PHYSICAL REVIEW B

Magnetically induced ferroelectricity inCu2MnSnS4andCu2MnSnSe4

(2010) Tetsuya Fukushima et al.   PHYSICAL REVIEW B

Perovskite manganites hosting versatile multiferroic phases with symmetric and antisymmetric exchange strictions

(2010) Shintaro Ishiwata et al.   PHYSICAL REVIEW B

Spin and orbital order in the vanadium spinelMgV2O4

(2010) Elisa M. Wheeler et al.   PHYSICAL REVIEW B

Electric-Field Control of Solitons in a Ferroelectric Organic Charge-Transfer Salt

(2010) F. Kagawa et al.   PHYSICAL REVIEW LETTERS

Interplay between Charge Order, Ferroelectricity, and Ferroelasticity: Tungsten Bronze Structures as a Playground for Multiferroicity

(2010) Kunihiko Yamauchi et al.   PHYSICAL REVIEW LETTERS

Epitaxial-Strain-Induced Multiferroicity inSrMnO3from First Principles

(2010) Jun Hee Lee et al.   PHYSICAL REVIEW LETTERS

Preparation of epitaxial DyFeO3 thin films and magnetodielectric coupling

(2010) S.J. Luo et al.   THIN SOLID FILMS

Octahedral tilt twinning and compositional modulation in NaLaMgWO6

(2009) Graham King et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Ferroelectric Switching in Multiferroic Magnetite (Fe3O4) Thin Films

(2009) Marin Alexe et al.   ADVANCED MATERIALS

Metal-Organic Perovskites: Synthesis, Structures, and Magnetic Properties of [C(NH2)3][MII(HCOO)3] (M=Mn, Fe, Co, Ni, Cu, and Zn; C(NH2)3= Guanidinium)

(2009) Ke-Li Hu et al.   CHEMISTRY-A EUROPEAN JOURNAL

AMPLIMODES: symmetry-mode analysis on the Bilbao Crystallographic Server

(2009) Danel Orobengoa et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

First principles studies of multiferroic materials

(2009) Silvia Picozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Magnetic and structural properties of NaLnMnWO6 and NaLnMgWO6 perovskites

(2009) Graham King et al.   JOURNAL OF SOLID STATE CHEMISTRY

Emerging routes to multiferroics

(2009) Ramamoorthy Ramesh   NATURE

Evidence for large electric polarization from collinear magnetism in TmMnO3

(2009) V Yu Pomjakushin et al.   NEW JOURNAL OF PHYSICS

Non-d0Mn-driven ferroelectricity in antiferromagneticBaMnO3

(2009) James M. Rondinelli et al.   PHYSICAL REVIEW B

Ultrafast polarization and magnetization response of multiferroicGaFeO3using time-resolved nonlinear optical techniques

(2009) Masakazu Matsubara et al.   PHYSICAL REVIEW B

Structural effects on the spin-state transition in epitaxially strainedLaCoO3films

(2009) James M. Rondinelli et al.   PHYSICAL REVIEW B

Magnetic structures ofNaLMnWO6perovskites(L=La,Nd,Tb)

(2009) Graham King et al.   PHYSICAL REVIEW B

Ferroelectricity in multiferroic magnetiteFe3O4driven by noncentrosymmetricFe2+/Fe3+charge-ordering: First-principles study

(2009) Kunihiko Yamauchi et al.   PHYSICAL REVIEW B

Ising Magnetism and Ferroelectricity inCa3CoMnO6

(2009) Hua Wu et al.   PHYSICAL REVIEW LETTERS

Multiferroicity in Rare-Earth NickelatesRNiO3

(2009) Gianluca Giovannetti et al.   PHYSICAL REVIEW LETTERS

Origin of Electromagnon Excitations in MultiferroicRMnO3

(2009) R. Valdés Aguilar et al.   PHYSICAL REVIEW LETTERS

Multiferroicity in TTF-CA Organic Molecular Crystals Predicted throughAb InitioCalculations

(2009) Gianluca Giovannetti et al.   PHYSICAL REVIEW LETTERS

Hybrid inorganic–organic materials: a new family in condensed matter physics

(2008) C N R Rao et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Multiferroicity due to charge ordering

(2008) Jeroen van den Brink et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Transmission Electron Microscopy Studies of NaLaMgWO6: Spontaneous Formation of Compositionally Modulated Stripes

(2008) Susana García-Martín et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Order−Disorder Antiferroelectric Phase Transition in a Hybrid Inorganic−Organic Framework with the Perovskite Architecture

(2008) Prashant Jain et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Improper ferroelectricity in perovskite oxide artificial superlattices

(2008) Eric Bousquet et al.   NATURE

Cupric oxide as an induced-multiferroic with high-TC

(2008) T. Kimura et al.   NATURE MATERIALS

Organic ferroelectrics

(2008) Sachio Horiuchi et al.   NATURE MATERIALS

Magnetically induced ferroelectricity in orthorhombic manganites: Microscopic origin and chemical trends

(2008) Kunihiko Yamauchi et al.   PHYSICAL REVIEW B

Homopolar Bond Formation inZnV2O4Close to a Metal-Insulator Transition

(2008) V. Pardo et al.   PHYSICAL REVIEW LETTERS

First Principles Study of Improper Ferroelectricity inTbMnO3

(2008) Andrei Malashevich et al.   PHYSICAL REVIEW LETTERS

Magnetic-Field-Induced Ferroelectric State inDyFeO3

(2008) Y. Tokunaga et al.   PHYSICAL REVIEW LETTERS

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS

Hybrid porous solids: past, present, future

(2007) Gérard Férey   CHEMICAL SOCIETY REVIEWS

Heat capacities, order–disorder transitions, and thermodynamic properties of rare-earth orthoferrites and rare-earth iron garnets

(2007) S.C. Parida et al.   JOURNAL OF SOLID STATE CHEMISTRY

Pressure-induced metal–insulator transition in

(2007) D. Baldomir et al.   PHYSICA B-CONDENSED MATTER