Advances in ab-initio theory of Multiferroics. Materials and mechanisms: modelling and understanding

Abstract

Within the broad class of multiferroics (compounds showing a coexistence of magnetism and ferroelectricity), we focus on the subclass of "improper electronic ferroelectrics", i.e. correlated materials where electronic degrees of freedom (such as spin, charge or orbital) drive ferroelectricity. In particular, in spin-induced ferroelectrics, there is not only a {\em coexistence} of the two intriguing magnetic and dipolar orders; rather, there is such an intimate link that one drives the other, suggesting a giant magnetoelectric coupling. Via first-principles approaches based on density functional theory, we review the microscopic mechanisms at the basis of multiferroicity in several compounds, ranging from transition metal oxides to organic multiferroics (MFs) to organic-inorganic hybrids (i.e. metal-organic frameworks, MOFs)

arXiv comment22 pages, 9 figures

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Cited by in corpus (9)

• Efficacy of the DFT+U formalism for modeling hole polarons in perovskite oxides
• Manipulating magnetoelectric effect -- Essence learned from Co${}_4$Nb${}_2$O${}_9$
• Origin of giant spin-lattice coupling and the suppression of ferroelectricity in EuTiO3 from first principles
• Tuning the Ferroelectric Polarization in $A{A}^{\prime }$MnWO${}_6$ Double Perovskites through $A$ Cation Substitution
• Mechanisms and origin of multiferroicity
• Helical multiferroics for electric field controlled quantum information processing
• First-principles study of ferroelectricity induced by p-d hybridization in ferrimagnetic NiFe2O4
• Nature of the Structural Symmetries Associated with Hybrid Improper Ferroelectricity in Ca3X2O7
• Large magnetocapacitance in electronic ferroelectric manganite systems