학술논문
Excited states of ZnS:Mn and ZnSe:Mn stabilized by the Jahn–Teller active E mode: Calculations by semiempirical self-consistent field methods.
Document Type
Article
Author
Source
Subject
*EXCITED state chemistry
*MANGANESE
*JAHN-Teller effect
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Language
ISSN
0021-9606
Abstract
The splitting of the quartet excited states of Mn2+ doped in ZnS and ZnSe due to coupling with the normal E vibration of tetrahedral MnS4 and MnSe4 clusters is studied by semiempirical methods which neglect the differential overlap between atomic orbitals. Stable excited state geometries of the impurity centers are found only if (i) the second neighbor Zn ions are included in the treated clusters and (ii) the collective E vibration of all the atoms neighboring the central Mn ion is taken into account. [ABSTRACT FROM AUTHOR]