First principle calculation on the electronic structure of CeRu2Ge2

doi:10.1016/j.jmmm.2005.01.019

IMR OpenIR

	First principle calculation on the electronic structure of CeRu2Ge2
	Zhang, YS ; Yao, KL ; Liu, ZL
通讯作者	Zhang, YS(zhangysthinker@hotmail.com)
	2005-09-01
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.
关键词	CeRu2Ge2 FP_LAPW on-site Coulomb potential spin polarization
DOI	10.1016/j.jmmm.2005.01.019
收录类别	SCI
语种	英语
WOS研究方向	Materials Science ; Physics
WOS类目	Materials Science, Multidisciplinary ; Physics, Condensed Matter
WOS记录号	WOS:000231579900011
出版者	ELSEVIER SCIENCE BV
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/82442
通讯作者	Zhang, YS
作者单位	1.Huazhong Univ Sci & Technol, Dept Phys, Wuhan 430074, Peoples R China 2.Huazhong Univ Sci & Technol, State Key Lab Laser Technol, Wuhan 430074, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China
推荐引用方式 GB/T 7714	Zhang, YS,Yao, KL,Liu, ZL. First principle calculation on the electronic structure of CeRu2Ge2[J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,2005,295(3):269-276.
APA	Zhang, YS,Yao, KL,&Liu, ZL.(2005).First principle calculation on the electronic structure of CeRu2Ge2.JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,295(3),269-276.
MLA	Zhang, YS,et al."First principle calculation on the electronic structure of CeRu2Ge2".JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 295.3(2005):269-276.