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Electronic structure of the self-trapped exciton in alkali fluorides and chlorides
| Content Provider | Semantic Scholar |
|---|---|
| Author | Song, K. S. Stoneham, A. Marshall Harker, A. H. |
| Copyright Year | 1975 |
| 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. |
| Starting Page | 1125 |
| Ending Page | 1135 |
| Page Count | 11 |
| File Format | PDF HTM / HTML |
| DOI | 10.1088/0022-3719/8/8/016 |
| Volume Number | 8 |
| Alternate Webpage(s) | http://discovery.ucl.ac.uk/162752/1/0022-3719_8_8_016.pdf |
| Alternate Webpage(s) | https://doi.org/10.1088/0022-3719%2F8%2F8%2F016 |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
