First-Principles Approach to Lattice-Mediated Magnetoelectric Effects

2008/03/06 by Jorge Íñiguez, Jorge Iniguez · 1 citation
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Algorithm #Computation #Computer science #Condensed matter physics #Ferroelectricity #Lattice (music) #Magnetic and transport properties of perovskites and related materials #Magnetoelectric effect #Multiferroics #Multiferroics and related materials #Physics #Quantum mechanics #Theoretical physics #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevlett.101.117201

published as Phys. Rev. Lett. 101, 117201 (2008) · 4 pages with 1 figure embedded. More information at http://www.icmab.es/dmmis/leem/jorge

arxiv created 2008/03/06 · openalex publication_date 2008/09/08 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

We present a first-principles scheme for the computation of the linear magnetoelectric response of magnetic insulators. We focus on the lattice-mediated part of the response, which we argue can be expected to be dominant in materials displaying strong magnetoelectric couplings. We apply our method to Cr2O3 and show that its low-temperature response has a significant lattice character.

Citations

• Projector augmented-wave method
• From ultrasoft pseudopotentials to the projector augmented-wave method
• Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
• Revival of the magnetoelectric effect
• Self-interaction correction to density-functional approximations for many-electron systems
• Carrier-mediated magnetoelectricity in complex oxide heterostructures
• Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

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• The Frequency-Dependent Spin Contribution to the Magnetoelectric Tensor of Cr₂O₃: A First-Principles Study