Temperature-Dependent Magnetoelectric Effect from First Principles

Full magnetoelectric response of Cr2O3 from first principles

Andrei Malashevich,1,2,* Sinisa Coh,1,2 Ivo Souza,3,4 and David Vanderbilt5 1Department of Physics, University of California, Berkeley, California 94720, USA 2Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA 3Centro de Fı́sica de Materiales (CSIC) and DIPC, Universidad del Paı́s Vasco, 20018 San Sebastián, Spain 4Ikerbasque Foundation, 48011 Bilb...

First-principles approach to lattice-mediated magnetoelectric effects.

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.

Magnetoelectric effect at the Fe3O4 /BaTiO3 (001) interface: A first-principles study

Anisotropic spin Hall effect from first principles.

We report on first principles calculations of the anisotropy of the intrinsic spin Hall conductivity (SHC) in nonmagnetic hcp metals and in antiferromagnetic Cr. For most of the metals of this study we find large anisotropies. We derive the general relation between the SHC vector and the direction of spin polarization and discuss its consequences for hcp metals. Especially, it is predicted that...

Temperature dependent phase stability of nanolaminated ternaries from first-principles calculations