Novel magneto-electric multiferroics from first-principles

Abstract

Interest in first-principles calculations within the multiferroic community has been rapidly on the rise over the last decade. Initially considered as a powerful support to explain experimentally observed behaviours, the trend has evolved and, nowadays, density functional theory calculations has become also an essential predicting tool for identifying original rules to achieve multiferroism and design new magneto-electric compounds. This chapter aims to highlight the key advances in the field of multiferroics for which first-principles methods have contributed significantly. The essential theoretical developments that made this search possible are also briefly presented.

References in corpus (17)

• Surface Magnetoelectric Effect in Ferromagnetic Metal Films
• Orbital magnetization in periodic insulators
• Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
• Dual nature of improper ferroelectricity in a magnetoelectric multiferroic
• Engineering multiferroism in CaMnO${}_3$
• Spin-Orbit Coupling and Ion Displacements in Multiferroic TbMnO3
• Theory of orbital magnetoelectric response
• Charge order in LuFe2O4: antiferroelectric ground state and coupling to magnetism
• Interface effects at a half-metal/ferroelectric junction
• Magnetically-induced ferroelectricity in orthorhombic manganites: microscopic origin and chemical trends
• Growth, Structure and Properties of Epitaxial Thin Films of First Principles Predicted Multiferroic Bi2FeCrO6
• Full magnetoelectric response of Cr2O3 from first principles
• Absence of Critical Thickness in an Ultrathin Improper Ferroelectric Film
• CdV2O4: A rare example of a collinear multiferroic spinel
• The Magnetoelectric Effect in Transition Metal Oxides: Insights and the Rational Design of New Materials from First Principles
• Epitaxial thin films of the multiferroic double perovskite Bi2FeCrO6 grown on (100)-oriented SrTiO3 substrates: Growth, characterization, and optimization
• Homopolar bond formation in ZnV${}_2$O${}_4$ close to a metal-insulator transition