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

被引：18

作者：

Borisov, V. S. ^{[1
]}

Ostanin, S. ^{[1
]}

Maznichenko, I. V. ^{[2
]}

Ernst, A. ^{[1
]}

Mertig, I. ^{[1
,2
]}

机构：

[1] Max Planck Inst Microstruct Phys, D-06120 Halle, Germany

[2] Univ Halle Wittenberg, Inst Phys, D-06099 Halle, Germany

来源：

PHYSICAL REVIEW B | 2014年 / 89卷 / 05期

关键词：

AB-INITIO; SPIN POLARIZATION; OXIDE; TRANSITION; CERAMICS;

D O I：

10.1103/PhysRevB.89.054436

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

引用

页数：8

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