A study of the spin-Hamiltonian parameters for Cr5+at the rhombically-distorted tetrahedral P5+site of Ca2PO4Cl crystal using a two-mechanism model

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	A study of the spin-Hamiltonian parameters for Cr5+at the rhombically-distorted tetrahedral P5+site of Ca2PO4Cl crystal using a two-mechanism model
	W. C. Zheng; Y. Mei; L. He
	2009
发表期刊	Philosophical Magazine Letters
ISSN	0950-0839
卷号	89 期号:9 页码:573-579
摘要	The complete high-order perturbation formulae of spin-Hamiltonian (SH) parameters (g factors gi and hyperfine structure constants Ai, where i = x, y, z) containing contributions from both the crystal-field (CF) and charge-transfer (CT) mechanisms (the latter mechanism is neglected in the widely-used CF theory) are established for d1 ions in rhombic tetrahedra. From these formulae, the SH parameters of Cr5+ ion at the rhombically-distorted tetrahedral P5+ site of Ca2PO4Cl crystal are calculated. The CF and CT energy levels used in the calculation are obtained from the optical spectra of the studied Ca2PO4Cl : Cr5+ crystal. The calculated results showed reasonable agreement with the experimental values. The signs of the hyperfine structure constants Ai and the relative importance of the CT mechanism to SH parameters are acquired from the calculations.
部门归属	[zheng, w. c.; mei, y.; he, l.] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [zheng, w. c.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [he, l.] zhejiang normal univ, dept phys, jinhua 321004, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
关键词	Cr5++ Crystal Field Epr Inorganic Materials Optical Spectroscopy Spectroscopy Atomic Screening Constants Scf Functions Explanation Cr4++
URL	查看原文
WOS记录号	WOS:000269098400006
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/321006/32613
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. C. Zheng,Y. Mei,L. He. A study of the spin-Hamiltonian parameters for Cr5+at the rhombically-distorted tetrahedral P5+site of Ca2PO4Cl crystal using a two-mechanism model[J]. Philosophical Magazine Letters,2009,89(9):573-579.
APA	W. C. Zheng,Y. Mei,&L. He.(2009).A study of the spin-Hamiltonian parameters for Cr5+at the rhombically-distorted tetrahedral P5+site of Ca2PO4Cl crystal using a two-mechanism model.Philosophical Magazine Letters,89(9),573-579.
MLA	W. C. Zheng,et al."A study of the spin-Hamiltonian parameters for Cr5+at the rhombically-distorted tetrahedral P5+site of Ca2PO4Cl crystal using a two-mechanism model".Philosophical Magazine Letters 89.9(2009):573-579.