Theory of the ligand-correlated covalent effect on spin orbit coupling for Cr3+ ion doping in a variety of oxide crystals

doi:10.1016/j.cplett.2010.09.001

IMR OpenIR

	Theory of the ligand-correlated covalent effect on spin orbit coupling for Cr3+ ion doping in a variety of oxide crystals
	Li, Cheng-Gang 1; Kuang, Xiao-Yu 1,2; Chai, Rui-Peng 1; Zhao, Ya-Ru 1
通讯作者	Kuang, Xiao-Yu(scu_kuang@163.com)
	2010-10-08
发表期刊	CHEMICAL PHYSICS LETTERS
ISSN	0009-2614
卷号	498 期号:4-6 页码:353-358
摘要	By using the complete energy matrix and taking into account the contributions from the spin orbit coupling of the central ions as well as those of the ligand ions, the local structure distortion have been studied for Cr3+ ions doping in KAl( MoO4), Y3Ga5O12, Y3Al5O12 and ZnAl2O4 crystals. The results show that the local structure exhibit elongation distortions for the doped systems. Moreover, the influence of the local structure parameter h on the EPR parameter D are studied. The relationships between D and (zeta, zeta') as well as the average parameter zeta(1) (zeta(1) = (zeta + zeta')/2) and the different parameter zeta(2) (zeta(2) = (zeta - zeta')/2) are discussed. (C) 2010 Elsevier B.V. All rights reserved.
资助者	National Natural Science Foundation of China
DOI	10.1016/j.cplett.2010.09.001
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[10774103] ; National Natural Science Foundation of China[10974138]
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000282361000024
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：8[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/321006/101082
专题	中国科学院金属研究所
通讯作者	Kuang, Xiao-Yu
作者单位	1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Acad Sinica, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Li, Cheng-Gang,Kuang, Xiao-Yu,Chai, Rui-Peng,et al. Theory of the ligand-correlated covalent effect on spin orbit coupling for Cr3+ ion doping in a variety of oxide crystals[J]. CHEMICAL PHYSICS LETTERS,2010,498(4-6):353-358.
APA	Li, Cheng-Gang,Kuang, Xiao-Yu,Chai, Rui-Peng,&Zhao, Ya-Ru.(2010).Theory of the ligand-correlated covalent effect on spin orbit coupling for Cr3+ ion doping in a variety of oxide crystals.CHEMICAL PHYSICS LETTERS,498(4-6),353-358.
MLA	Li, Cheng-Gang,et al."Theory of the ligand-correlated covalent effect on spin orbit coupling for Cr3+ ion doping in a variety of oxide crystals".CHEMICAL PHYSICS LETTERS 498.4-6(2010):353-358.