Magnetism and half-metallicity at the O surfaces of ceramic oxides

被引：67

作者：

Gallego, S ^{[1
]}

Beltrán, JI ^{[1
]}

Cerdá, J ^{[1
]}

Muñoz, MC ^{[1
]}

机构：

[1] CSIC, Inst Ciencia Mat, E-28049 Madrid, Spain

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2005年 / 17卷 / 43期

关键词：

D O I：

10.1088/0953-8984/17/43/L04

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The occurrence of spin polarization at ZrO2, Al2O3 and MgO surfaces is proved by means of ab initio calculations within the density functional theory. Large spin moments, as high as 1.56 mu(B), develop at O-ended polar terminations, transforming the non-magnetic insulator into a half-metal. The magnetic moments mainly reside in the surface oxygen atoms and their origin is related to the existence of 2p holes of well defined spin polarization at the valence band of the ionic oxide. The direct relation between magnetization and local loss of donor charge makes it possible to extend the magnetization mechanism beyond surface properties.

引用

页码：L451 / L457

页数：7

共 40 条

[1]

Aita C. R., 1994, Nanostructured Materials, V4, P257, DOI 10.1016/0965-9773(94)90135-X

[2] Neutron diffraction study of the size-induced tetragonal to monoclinic phase transition in zirconia nanocrystals [J].