期刊
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
卷 324, 期 18, 页码 2885-2893出版社
ELSEVIER
DOI: 10.1016/j.jmmm.2012.04.042
关键词
Density functional theory; Doped germanium cluster; Magnetic semiconductor
资金
- Department of Science and Technology, New Delhi
The ground state structures and their magnetic properties have been investigated for GenCr clusters (1 <= n <= 13) using spin polarized density functional theory. The growth behavior of GenCr clusters for n <= 13 shows preference of Cr atom to stabilize at the exohedral position. The binding energy increases with the increase in cluster size, but shows a small decrease w.r.t. pure Ge-n clusters. Interestingly, the magnetic moment in Cr doped Gen is found to be either 4 mu(B) or 6 mu(B) and shows no sign of magnetic quenching in any of the ground state structures and isomers investigated up to n=13. It is found that the magnetic moment is mainly localized at the Cr atom along with small induced magnetic moment on surrounding Ge atoms. The results are consistent with the available theoretical results for n <= 5. (C) 2012 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据