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- URN zum Zitieren dieses Dokuments:
- urn:nbn:de:bvb:355-epub-12234
- DOI zum Zitieren dieses Dokuments:
- 10.5283/epub.1223
Zusammenfassung
In this work we present a method to determine the Raman coefficients of tetrahedrally bonded semiconductors directly in density-functional theory. For this purpose we apply the 2n+1 theorem to derive an analytical expression for the Raman tensor. To the best of our knowledge, this is the first ab initio application of the 2n+1 theorem involving mixed third-order derivatives of the total energy in ...
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