Energy spectra, g factors and their pressure-induced and/or thermal shifts of SrTiO3 : Cr3+ and SrTiO3 : Mn4+ II: Pressure effects on ground-state g factor and splittings of t(2)(3) E-2 and t(2)(3) (4)A(2) of SrTiO3 : Cr3+

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	Energy spectra, g factors and their pressure-induced and/or thermal shifts of SrTiO3 : Cr3+ and SrTiO3 : Mn4+ II: Pressure effects on ground-state g factor and splittings of t(2)(3) E-2 and t(2)(3) (4)A(2) of SrTiO3 : Cr3+
	D. P. Ma; J. P. Zhang
	2001
发表期刊	Communications in Theoretical Physics
ISSN	0253-6102
卷号	35 期号:5 页码:627-634
摘要	By using the wavefunctions obtained from diagonalizing the complete d(3) energy matrix at normal and various pressures, the g factor of the ground state of SrTiO3:Cr3+ and its pressure-induced shift have been microscopically calculated. Only by taking the local strains around Cr3+ in SrTiO3:Cr3+ (which are about twice the bulk ones) and corresponding P-chi dependence, can we obtain a good agreement between the calculated result of pressure-induced shift of ground-state g factor and the experimental one. The physical origins of this pressure-induced shift have been explained. It is found that the change of Dq(-1) with pressure makes main contribution to the pressure-induced shift of ground-state g factor of SrTiO3:Cr3+. By using the wavefunctions obtained from diagonalizing the complete d3 energy matrix at normal pressure, the relevant matrix elements and accordingly strain-induced splittings of t(2)(3) E-2 and t(2)(3) (4)A(2) of SrTiO3:Cr3+ have been calculated. The important results of Y-c, Z(c), P-c and Q(c) have also been evaluated. It is the admixtures of basic wavefunctions resulted from the spin-orbit interaction and/or Coulomb interaction and/or Kramers degeneracy that make the strain-induced splittings of the levels nonzero. It is found that there are nonvanishing matrix elements of operators T2 xi, T2 eta and T2 zeta between wavefunctions with positive M-s and those with negative M-s', which have important effects on the strain-induced splittings of the levels.
部门归属	sichuan univ, dept appl phys, chengdu 610065, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;ma, dp (reprint author), sichuan univ, dept appl phys, chengdu 610065, peoples r china
关键词	Crystal Fields Energy Spectrum g Factors High-pressure Effect Strain-induced Splitting Theoretical Calculations Ruby Crystal
URL	查看原文
WOS记录号	WOS:000169609100022
引用统计	被引频次：3[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/321006/36752
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	D. P. Ma,J. P. Zhang. Energy spectra, g factors and their pressure-induced and/or thermal shifts of SrTiO3 : Cr3+ and SrTiO3 : Mn4+ II: Pressure effects on ground-state g factor and splittings of t(2)(3) E-2 and t(2)(3) (4)A(2) of SrTiO3 : Cr3+[J]. Communications in Theoretical Physics,2001,35(5):627-634.
APA	D. P. Ma,&J. P. Zhang.(2001).Energy spectra, g factors and their pressure-induced and/or thermal shifts of SrTiO3 : Cr3+ and SrTiO3 : Mn4+ II: Pressure effects on ground-state g factor and splittings of t(2)(3) E-2 and t(2)(3) (4)A(2) of SrTiO3 : Cr3+.Communications in Theoretical Physics,35(5),627-634.
MLA	D. P. Ma,et al."Energy spectra, g factors and their pressure-induced and/or thermal shifts of SrTiO3 : Cr3+ and SrTiO3 : Mn4+ II: Pressure effects on ground-state g factor and splittings of t(2)(3) E-2 and t(2)(3) (4)A(2) of SrTiO3 : Cr3+".Communications in Theoretical Physics 35.5(2001):627-634.