Theoretical study on local defect structure of (FeO4)(5-) clusters in YGG and LGG crystals

doi:10.1016/j.saa.2009.02.024

IMR OpenIR

	Theoretical study on local defect structure of (FeO4)(5-) clusters in YGG and LGG crystals
	Li, Hui-Li 1; Kuang, Xiao-Yu 1,2; Li, Ying 1; Mao, Ai-Jie 1
通讯作者	Kuang, Xiao-Yu(scu_kuang@163.com)
	2009-07-15
发表期刊	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN	1386-1425
卷号	73 期号:2 页码:273-276
摘要	The optical spectrum and the local defect Structure of tetrahedral (FeO4)(5-) clusters are investigated in yttrium gallium garnet (YGG) and lutetium gallium garnet (LGG) crystals by means of the 252 x 252 complete energy matrices for d(5) configuration ions in tetragonal ligand field. The results show that the local defect structures around tetrahedral Fe3+ centers display an expansion effect. Simultaneously, the (FeO4)5- Clusters in the two different crystals have very similar local structures, which are close to those in YIG garnet crystal. Finally the relative curves of the zero-field splitting energies Delta E-1 and Delta E-2 in the ground state (6)A(1) varying with the structure parameter theta are plotted. (C) 2009 Elsevier B.V. All rights reserved.
关键词	(FeO4)(5-) clusters Local defect structure EPR
资助者	National Natural Science Foundation of China ; Doctoral Education Fund of Education Ministry of China
DOI	10.1016/j.saa.2009.02.024
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[10774103] ; Doctoral Education Fund of Education Ministry of China[20050610011]
WOS研究方向	Spectroscopy
WOS类目	Spectroscopy
WOS记录号	WOS:000266429700009
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/96047
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, Hui-Li,Kuang, Xiao-Yu,Li, Ying,et al. Theoretical study on local defect structure of (FeO4)(5-) clusters in YGG and LGG crystals[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2009,73(2):273-276.
APA	Li, Hui-Li,Kuang, Xiao-Yu,Li, Ying,&Mao, Ai-Jie.(2009).Theoretical study on local defect structure of (FeO4)(5-) clusters in YGG and LGG crystals.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,73(2),273-276.
MLA	Li, Hui-Li,et al."Theoretical study on local defect structure of (FeO4)(5-) clusters in YGG and LGG crystals".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 73.2(2009):273-276.