Mt. Bennebroek et al., SPATIAL-DISTRIBUTION OF THE WAVE-FUNCTION OF THE SELF-TRAPPED EXCITONIN AGCL, Physical review. B, Condensed matter, 53(23), 1996, pp. 15607-15616
The results are presented of a high-frequency electron nuclear double
resonance (ENDOR) study of the lowest triplet state of the self-trappe
d exciton in AgCl. Direct information about the spatial distribution o
f the wave function is obtained, which confirms that the exciton in it
s triplet state is built up from a strongly localized self-trapped hol
e and a very diffuse electron. The electron is mainly contained in a h
ydrogenlike 1s orbital with a Bohr radius of 15.1+/-0.6 Angstrom, but
near its center the electron density deviates from spherical symmetry
and reflects the D-4h charge distribution of the hole. From a comparis
on with the results of an ENDOR study of the self-trapped hole, it is
concluded that the microscopic and electronic structure of a self-trap
ped hole is not significantly altered by the attraction of a shallow e
lectron. No evidence is obtained for the formation of Frenkel pairs in
AgCl upon ultraviolet irradiation at low temperatures.