Stabilities of the self-trapped holes and excitons in alkali halides

Abstract

We study theoretically the stability of self-trapped hole and self-trapped exciton in alkali halides, AH, A=Li, Na, K, Rb, and H=Cl, Br, I. From a good correspondence between the emissions obtained experimentally and the present numerical results, it is found that a probable origin of Ex emission is three-center like state, while that of π and σ emissions is two-center state.