Self-trapped exciton in caesium iodide. I. Theory
T Iida; Y Nakaoka; J P von der Weid; M A Aegerter; T Iida; Dept. of Phys., Osaka City Univ., Osaka, Japan; Y Nakaoka; Dept. of Phys., Osaka City Univ., Osaka, Japan; J P von der Weid; Dept. of Phys., Osaka City Univ., Osaka, Japan; M A Aegerter; Dept. of Phys., Osaka City Univ., Osaka, Japan
Журнал:
Journal of Physics C: Solid State Physics
Дата:
1980-02-29
Аннотация:
The electronic structure of the self-trapped exciton (STE) in caesium iodide is investigated by a semi-empirical molecular-orbital method. The STE states are constructed by considering the relaxed electronic states of a cluster composed of an anionic diatomic I<sub>2</sub><sup>-</sup> molecule surrounded by its nearest-neighbour Cs<sup>+</sup> ions. For the electronic states, the 6s and 5d orbitals of the Cs<sup>+</sup> ions are taken into account. Two types of STE states are obtained; the lower level manifold of each one is composed of a split triplet state and a singlet state. Both give rise to pi -emissions with a rather long radiative lifetime. The general expressions for the magnetic circular polarisation, the magnetic linear polarisation and the lifetime of the emissions are derived and discussed.
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