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

共 14 条

[1] STRUCTURE AND IONIC MOBILITY OF ZIRCONIA AT HIGH-TEMPERATURE [J].

ALDEBERT, P ;

TRAVERSE, JP .

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1985, 68 (01) :34-40

[2] STABILIZATION OF CUBIC ZRO2 BY MNO AND PARTIAL SUBSTITUTION OF TI, NB, OR TA FOR ZR [J].

BAYER, G .

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1970, 53 (05) :294-&

[3] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[4] Magnetism in hafnium dioxide [J].

Coey, JMD ;

Venkatesan, M ;

Stamenov, P ;

Fitzgerald, CB ;

Dorneles, LS .

PHYSICAL REVIEW B, 2005, 72 (02)

[5] Zener model description of ferromagnetism in zinc-blende magnetic semiconductors [J].

Dietl, T ;

Ohno, H ;

Matsukura, F ;

Cibert, J ;

Ferrand, D .

SCIENCE, 2000, 287 (5455) :1019-1022

[6] EXPERIMENTAL AND THEORETICAL DETERMINATION OF THE ELECTRONIC-STRUCTURE AND OPTICAL-PROPERTIES OF 3 PHASES OF ZRO2 [J].

FRENCH, RH ;

GLASS, SJ ;

OHUCHI, FS ;

XU, YN ;

CHING, WY .

PHYSICAL REVIEW B, 1994, 49 (08) :5133-5141

[7]

Hong NH, 2005, APPL PHYS LETT, V86, DOI [10.1063/1.1949723, 10.1063/1.1875752]

[8] STRUCTURES OF THE ZRO2 POLYMORPHS AT ROOM-TEMPERATURE BY HIGH-RESOLUTION NEUTRON POWDER DIFFRACTION [J].

HOWARD, CJ ;

HILL, RJ ;

REICHERT, BE .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1988, 44 :116-120

[9] Bonding and electronic structure in zirconia pseudopolymorphs investigated by electron energy-loss spectroscopy [J].

McComb, DW .

PHYSICAL REVIEW B, 1996, 54 (10) :7094-7102

[10] Dilute magnetic semiconducting oxides [J].

Pearton, SJ ;

Heo, WH ;

Ivill, M ;

Norton, DP ;

Steiner, T .

SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2004, 19 (10) :R59-R74

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