Energy spectrum and its pressure-induced shift and g factor of ZnS : Mn2+

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	Energy spectrum and its pressure-induced shift and g factor of ZnS : Mn2+
	D. P. Ma; Y. Wu; J. R. Chen; N. Ma
	2000
发表期刊	Communications in Theoretical Physics
ISSN	0253-6102
卷号	34 期号:3 页码:397-406
摘要	By using strong-field scheme, the complete d(5) energy matrix with D-2d symmetry has been constructed. Then, by diagonalization of this matrix at normal and various pressures, the whole energy spectrum [including the ground-state zero-field-splitting (GSZFS)], its PS and the g factor of the ground state for ZnS:Mn2+ have uniformly been calculated. According to the eigenfunctions and PS, the new assignments of five absorption bands have been given. The variation of tetragonal field with pressure makes a main contribution to the pressure-induced shift (PS) of GSZFS of ZnS:Mn2+, which supports the existence of tetragonal Jahn-Teller distortion in ZnS:Mn2+. It is found that when P greater than or equal to 62 kbar, t(2)(4)(T-3(1))e(4)T(1) merges with t(2)e(4) T-2(2), which has to be taken into account in the calculation of PS of the fifth band in the range of 1 bar similar to 95 kbar. It is demonstrated that the Mn2+ ions in ZnS:Mn2+ have tetrahedral coordination, and the difference between zeta and zeta' caused by the covalency effect is very important for GSZFS. The physical essentials of typical levels, GSZFS and their PS have been revealed. By taking into account the influence of covalency on t(2)(3)((4)A(2))e(2)((3)A(2))(4)A(1) and t(2)(3)(E-2)e(2)((3)A(2))E-4, the position of the third absorption band at normal pressure has been estimated.
部门归属	sichuan univ, dept appl phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110015, peoples r china. sichuan univ, dept comp sci, chengdu 610064, peoples r china.;ma, dp (reprint author), sichuan univ, dept appl phys, chengdu 610065, peoples r china
关键词	Crystal Fields High Pressure Optical Properties Energy Spectrum Jahn-teller Effect Covalency Theoretical Calculations D5 Ions Zns Mn2++ Ruby Symmetry Crystals Mn-2++ Epr
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WOS记录号	WOS:000165285100003
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/37133
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	D. P. Ma,Y. Wu,J. R. Chen,et al. Energy spectrum and its pressure-induced shift and g factor of ZnS : Mn2+[J]. Communications in Theoretical Physics,2000,34(3):397-406.
APA	D. P. Ma,Y. Wu,J. R. Chen,&N. Ma.(2000).Energy spectrum and its pressure-induced shift and g factor of ZnS : Mn2+.Communications in Theoretical Physics,34(3),397-406.
MLA	D. P. Ma,et al."Energy spectrum and its pressure-induced shift and g factor of ZnS : Mn2+".Communications in Theoretical Physics 34.3(2000):397-406.