Magnetic properties of ZrO2-diluted magnetic semiconductors

被引：26

作者：

Archer, Thomas ^{[1
]}

Das Pemmaraju, Chaitanya ^{[1
]}

Sanvito, Stefano ^{[1
]}

机构：

[1] Univ Dublin Trinity Coll, Sch Phys, Dublin 2, Ireland

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2007年 / 316卷 / 02期

基金：

爱尔兰科学基金会;

关键词：

DFT; zirconia; DMS; high-k; dielectric;

D O I：

10.1016/j.jmmm.2007.02.085

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Monoclinic zirconia (ZrO2) as a potential host for diluted magnetic semiconductors (DMS) was investigated using density functional theory (DFT). Our calculations assessed the feasibility of long-range magnetic order at room temperature for transition metal ions substituting Zr. The defect-related d states split into e(g) and t(2g) bands. The exchange mechanism was shown to have strong nearest-neighbour coupling for several dopants reaching up to 150 meV for Fe. However, there was little to no long-range coupling extending beyond nearest-neighbour coordination, resulting in a non-physically high-defect concentration necessary for room temperature ferromagnetism. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：E188 / E190

页数：3

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