SONG, KS and STONEHAM, AM and HARKER, AH (1975) ELECTRONIC-STRUCTURE OF SELF-TRAPPED EXCITON IN ALKALI FLUORIDES AND CHLORIDES. J PHYS C SOLID STATE , 8 (8) 1125 - 1135. 10.1088/0022-3719/8/8/016.
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Abstract
The authors report pseudopotential calculations for the relaxed exciton in alkali fluorides ahd chlorides, with emphasis on NaCl. These calculations supplement earlier Hartree-Fock calculations by permitting investigation of a number of specific features. The more extended and higher energy excitations of the electron associated with the exciton are studied and a wider range of host lattices and crystal geometries considered. The most important result is that the origin of the sigma (singlet) and pi (triplet) luminescence bands can be understood: the two bands derive from different orbital states, contrary to previous assumptions. Estimates of hyperfine constants, the sigma - pi splitting and oscillator strengths are also given and agree well with experiment. The results suggest that there should be an additional sigma -polarized band of the self-trapped exciton in the infrared.
| Type: | Article |
|---|---|
| Title: | ELECTRONIC-STRUCTURE OF SELF-TRAPPED EXCITON IN ALKALI FLUORIDES AND CHLORIDES |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/0022-3719/8/8/016 |
| Publisher version: | http://dx.doi.org/10.1088/0022-3719/8/8/016 |
| Language: | English |
| Additional information: | Text made available to UCL Discovery by kind permission of IOP Publishing, 2012 |
| UCL classification: | UCL > School of BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology |
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