KCl結晶に於けるF-中心の電子構造について

概要

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The recent development of the electron spin magnetic resonance absorption in F-center of alkali halides seems to provide a powerful means for clarifying the detailed structure of electronic states around the lattice defect. In fact the analysis of the mentioned phenomena by Kip, Kittel and others has shown clearly the validity of the molecular orbital approach to the F-center problem, which was initiated by one of the authors and is regarded a refinement of the continuum approximation by Tibbs and others. In particular, the atomic orbital in LCAO of the F-center electron has been found to consist of 4s and 4p ones of a potassium ion in order to explain the structure of the magnetic absorption line together with the q-shift. In view of the above situation, we have attempted to work the electronic states of a F-center in KCl by using the MO method in which basic orbital contains 4s as well as 0p AO of a potassium ion. The secular equation can be reduced, by the group-theoretic consideration of crystal symmetry, to those of the lower degrees which are easily solved in a straightforward way. The observed results are found to get qualitative agreements with the experiments of both magnetic resonance and optical absorptions.
宇宙航空研究開発機構の論文
1956-02-20