Theoretical calculations of strain-induced splittings and/or shifts of t(2)(3) E-2 and t(2)(3) (4)A(2) levels for MgO : Cr3+

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	Theoretical calculations of strain-induced splittings and/or shifts of t(2)(3) E-2 and t(2)(3) (4)A(2) levels for MgO : Cr3+
	D. P. Ma ; N. Ma ; J. R. Chen
刊名	Communications in Theoretical Physics
	2001
卷号	36 期号:2 页码:219-226
关键词	strain and stress splitting and shift of levels ligand field admixture of wavefunctions single-electron reduced matrix elements pressure-induced shifts thermal shifts sharp lines ruby transitions broadenings corundum spectra
ISSN号	0253-6102
中文摘要	Under various uniaxial stresses, both strains with low symmetry and isotropic strains of crystals take place. The former gives the strain-induced low-symmetry crystal fields and accordingly splittings of levels; the latter gives the isotropic parts of strain-induced crystal fields and accordingly shifts of levels. By using the wavefunctions obtained from the diagonalization of the complete d(3) energy matrix in a regular octahedral field, the relevant matrix elements and accordingly strain-induced splittings and/or shifts of t(2)(3) E-2 and t(2)(3) (4)A(2) for MgO:Cr3+ have been calculated. Their physical origins have been thoroughly analyzed and revealed. It is the admixtures of basic wavefunctions resulted from the spinorbit interaction and/or Coulomb interaction and/or Kramers degeneracy that make strain-induced splittings of levels nonzero. In contrast with this, strain-induced shifts come mainly from the zero-order approximate wavefunctions. It is found that there are nonvanishing matrix elements of operators T(2)xi, T(2)eta and T(2)zeta between wavefunctions with positive M-s and those with negative M-s', which have important effects on strain-induced splittings of levels. The shifts of t(2)(32)E under both hydrostatic pressure and uniaxial pressure have been uniformly calculated. The important results of Y-c, Z(c), P-c, Q(c) and have been evaluated.
原文出处	://WOS:000171143200021
公开日期	2012-04-14
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/36749]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	D. P. Ma,N. Ma,J. R. Chen. Theoretical calculations of strain-induced splittings and/or shifts of t(2)(3) E-2 and t(2)(3) (4)A(2) levels for MgO : Cr3+[J]. Communications in Theoretical Physics,2001,36(2):219-226.
APA	D. P. Ma,N. Ma,&J. R. Chen.(2001).Theoretical calculations of strain-induced splittings and/or shifts of t(2)(3) E-2 and t(2)(3) (4)A(2) levels for MgO : Cr3+.Communications in Theoretical Physics,36(2),219-226.
MLA	D. P. Ma,et al."Theoretical calculations of strain-induced splittings and/or shifts of t(2)(3) E-2 and t(2)(3) (4)A(2) levels for MgO : Cr3+".Communications in Theoretical Physics 36.2(2001):219-226.