Theoretical investigation for the EPR g-factors of the mixed ground state in NaCl: Ag(2+) crystals

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	Theoretical investigation for the EPR g-factors of the mixed ground state in NaCl: Ag(2+) crystals
	W. L. Li; X. M. Li; W. L. Feng; W. J. Yang; C. Y. Tao
	2011
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	79 期号:5 页码:1308-1310
摘要	In this paper, it is considered that the local structure of the (AgCl(6))(4-) cluster for the NaCI: Ag(2+) crystal is of the axially elongational D(4h) symmetry which possesses the weaker rhombic distortion at < 001 > lattice site. The mechanism for an admixture of the (2)A(1g) into the ground state (2)B(1g) is taken into account. The electron paramagnetic resonance (EPR)g factors of NaCl: Ag(2+) are studied by using the double spin-orbit coupling model and an approximation of a semiempirical molecular orbit. The EPR g factors for the NaCl: Ag(2+) crystals are reasonably explained as well as the good agreement between the calculated values and the experimental data is obtained. (C) 2011 Elsevier B.V. All rights reserved.
部门归属	[li, w. l.; li, x. m.; feng, w. l.; tao, c. y.] chongqing univ, coll optoelect engn, minist educ, key lab optoelect technol & syst, chongqing 400044, peoples r china. [li, x. m.; yang, w. j.] chongqing univ, coll chem & chem engn, chongqing 400044, peoples r china. [feng, w. l.] chongqing univ technol, dept appl phys, chongqing 400054, peoples r china. [feng, w. l.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;li, xm (reprint author), chongqing univ, coll optoelect engn, minist educ, key lab optoelect technol & syst, chongqing 400044, peoples r china;xuemingli@cqu.edu.cn wenlinfeng@126.com
关键词	Electron Paramagnetic Resonance Double Spin-orbit Coupling Model Nacl Ag(2+) Spin-hamiltonian Parameters Atomic Screening Constants Paramagnetic-resonance Single-crystals Optical-spectra Scf Functions Ions Electrons Sites V3++
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30485
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. L. Li,X. M. Li,W. L. Feng,et al. Theoretical investigation for the EPR g-factors of the mixed ground state in NaCl: Ag(2+) crystals[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2011,79(5):1308-1310.
APA	W. L. Li,X. M. Li,W. L. Feng,W. J. Yang,&C. Y. Tao.(2011).Theoretical investigation for the EPR g-factors of the mixed ground state in NaCl: Ag(2+) crystals.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,79(5),1308-1310.
MLA	W. L. Li,et al."Theoretical investigation for the EPR g-factors of the mixed ground state in NaCl: Ag(2+) crystals".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 79.5(2011):1308-1310.