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
收藏
页码：E188 / E190
页数：3
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