First principle calculation on the electronic structure of CeRu2Ge2

IMR OpenIR

	First principle calculation on the electronic structure of CeRu2Ge2
	Y. S. Zhang; K. L. Yao; Z. L. Liu
	2005
发表期刊	Journal of Magnetism and Magnetic Materials
ISSN	0304-8853
卷号	295 期号:3 页码:269-276
摘要	The electronic structure of CeRu2Ge2 has been calculated using the self-consistent full-potential linearized augmented plane wave method (FP_LAPW) based on the density functional theory (DFT). The effect of the position exchanging between Ru and Ge atoms is studied. It shows that the magnetic moment of Ce ion is sensitive to the position exchanging between them. The result also reveals that the spin-orbit interaction and on-site Coulomb potential should be added on the Ce-derived 4f orbitals to obtain the correctly ground-state magnetic moment of CeRu2Ge2. The electronic structures of CeRu2Ge2 and its isostructural compound CeRu2Si2 have also been compared. (C) 2005 Elsevier B.V. All rights reserved.
部门归属	huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. huazhong univ sci & technol, state key lab laser technol, wuhan 430074, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;zhang, ys (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china;zhangysthinker@hotmail.com
关键词	Ceru2ge2 Fp_lapw On-site Coulomb Potential Spin Polarization Ceru2si2 Ferromagnetism Silicides Behavior
URL	查看原文
WOS记录号	WOS:000231579900011
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/35242
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. S. Zhang,K. L. Yao,Z. L. Liu. First principle calculation on the electronic structure of CeRu2Ge2[J]. Journal of Magnetism and Magnetic Materials,2005,295(3):269-276.
APA	Y. S. Zhang,K. L. Yao,&Z. L. Liu.(2005).First principle calculation on the electronic structure of CeRu2Ge2.Journal of Magnetism and Magnetic Materials,295(3),269-276.
MLA	Y. S. Zhang,et al."First principle calculation on the electronic structure of CeRu2Ge2".Journal of Magnetism and Magnetic Materials 295.3(2005):269-276.