Magnetoelectric properties of the $\text{Co}/{\text{PbZr}}_{x}$${\text{Ti}}_{1\ensuremath{-}x}$${\text{O}}_{3}$ (001) interface studied from first principles

Magnetoelectric properties of the $Co / {PbZr}_{x}$ ${Ti}_{1 - x}$ $O_{3}$ (001) interface studied from first principles

V. S. Borisov, S. Ostanin, I. V. Maznichenko, A. Ernst, and I. Mertig

Phys. Rev. B 89, 054436 – Published 28 February 2014

Abstract

Magnetoelectric coupling at the interface between $PbTi (Zr) O_{3}$ (001) (PZT) and a Co film as well as its tuning by Zr substitutions is studied here from first principles. Chemically disordered 25% Zr-doped compositions were modeled within the supercell approach. Our calculations suggest that ferroelectric ionic displacements in PZT can be locally enhanced, especially when the interfacial Ti cations are replaced with Zr. Regarding Co films their structure tends to become hexagonal for thicker films, while rather significant changes in Co magnetization are anticipated in response to the electric polarization reversal in PZT.

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Received 7 November 2013
Revised 14 February 2014

DOI:https://doi.org/10.1103/PhysRevB.89.054436

Authors & Affiliations

V. S. Borisov^1,*, S. Ostanin¹, I. V. Maznichenko², A. Ernst¹, and I. Mertig^1,2

¹Max Planck Institute of Microstructure Physics, Weinberg 2, D-06120 Halle, Germany
²Institute of Physics, Martin Luther University Halle-Wittenberg, D-06099 Halle, Germany

^*vborisov@mpi-halle.mpg.de

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Vol. 89, Iss. 5 — 1 February 2014

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Physical Review B

covering condensed matter and materials physics

Magnetoelectric properties of the $Co / {PbZr}_{x}$ ${Ti}_{1 - x}$ $O_{3}$ (001) interface studied from first principles

V. S. Borisov, S. Ostanin, I. V. Maznichenko, A. Ernst, and I. Mertig

Phys. Rev. B 89, 054436 – Published 28 February 2014

Abstract

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Physical Review B

covering condensed matter and materials physics

Magnetoelectric properties of the Co/PbZrxTi1−xO3 (001) interface studied from first principles

V. S. Borisov, S. Ostanin, I. V. Maznichenko, A. Ernst, and I. Mertig

Phys. Rev. B 89, 054436 – Published 28 February 2014

Abstract

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Magnetoelectric properties of the $Co / {PbZr}_{x}$ ${Ti}_{1 - x}$ $O_{3}$ (001) interface studied from first principles