Windl, W. and Karch, K. and Pavone, P. and Schütt, O. and Strauch, Dieter (1995) Full ab initio calculation of second-order Raman spectra of semiconductors. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 56 (6). pp. 787-790. ISSN 0020-7608, 1097-461X
Full text not available from this repository.Abstract
We present the first full ab initio calculation of second-order Raman spectra in semiconductors based on density functional perturbation theory. The method is applied to the Gamma(1)(+) spectra of the elemental semiconductors diamond, silicon, and germanium and reproduces the experimental data excellently. Using first-principles phonons, we also calculated the corresponding overtone densities of states and Gamma(1)(+) Raman spectra employing phenomenological polarizability coefficients. Finally, we analyze the results of the different approaches pointing out the relevance of a full first-principles derivation. (C) 1995 John Wiley & Sons, Inc.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ABINITIO CALCULATION; DIAMOND; SILICON |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Dieter Strauch |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 15 Nov 2023 10:30 |
| Last Modified: | 15 Nov 2023 10:30 |
| URI: | https://pred.uni-regensburg.de/id/eprint/52161 |
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