Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)(4-), (MnO4)(3-) and (FeO4)(2-) clusters in Y2SiO4 : Cr4+, Ba-3(VO4)(2): Mn5+ and K2CrO4 : Fe6+ crystals

doi:10.1016/j.cplett.2005.02.112

IMR OpenIR

	Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)(4-), (MnO4)(3-) and (FeO4)(2-) clusters in Y2SiO4 : Cr4+, Ba-3(VO4)(2): Mn5+ and K2CrO4 : Fe6+ crystals
	Wen-Chen, Z ; Xiao-Xuan, W ; Qin, Z ; Yang, M
通讯作者	Wen-Chen, Z(zhengwc1@163.com)
	2005-04-23
发表期刊	CHEMICAL PHYSICS LETTERS
ISSN	0009-2614
卷号	406 期号:1-3 页码:192-196
摘要	The complete high-order perturbation formulas of EPR parameters (g-shifts Delta g(parallel to),Delta g(perpendicular to) and zero-field splitting D), including not only the crystal-field (CF) mechanism, but also the charge-transfer (CT) mechanism (which is neglected in crystal-field theory), are established by a cluster approach for 3d(2) ions in trigonal symmetry. From these formulas, the EPR parameters of Y2SiO4:Cr4+, Ba-3(VO4)(2):Mn5+ and K2CrO4:Fe6+ are calculated. The results are in reasonable agreement with the observed values. It is found that the relative importance of CT mechanism increases with increasing atomic number of 3d(2) ion and so in the studies of EPR parameters for high valence state 3d" ions in crystals, both CF and CT mechanisms should be taken in account. (c) 2005 Elsevier B.V. All rights reserved.
DOI	10.1016/j.cplett.2005.02.112
收录类别	SCI
语种	英语
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000228612200032
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/321006/82238
通讯作者	Wen-Chen, Z
作者单位	1.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China 2.Civil Aviat Flying Inst China, Dept Phys, Guangzhou 618307, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China 4.Fudan Univ, Natl Key Lab, Surface Phys Lab, Shanghai 200433, Peoples R China
推荐引用方式 GB/T 7714	Wen-Chen, Z,Xiao-Xuan, W,Qin, Z,et al. Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)(4-), (MnO4)(3-) and (FeO4)(2-) clusters in Y2SiO4 : Cr4+, Ba-3(VO4)(2): Mn5+ and K2CrO4 : Fe6+ crystals[J]. CHEMICAL PHYSICS LETTERS,2005,406(1-3):192-196.
APA	Wen-Chen, Z,Xiao-Xuan, W,Qin, Z,&Yang, M.(2005).Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)(4-), (MnO4)(3-) and (FeO4)(2-) clusters in Y2SiO4 : Cr4+, Ba-3(VO4)(2): Mn5+ and K2CrO4 : Fe6+ crystals.CHEMICAL PHYSICS LETTERS,406(1-3),192-196.
MLA	Wen-Chen, Z,et al."Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)(4-), (MnO4)(3-) and (FeO4)(2-) clusters in Y2SiO4 : Cr4+, Ba-3(VO4)(2): Mn5+ and K2CrO4 : Fe6+ crystals".CHEMICAL PHYSICS LETTERS 406.1-3(2005):192-196.