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- URN zum Zitieren dieses Dokuments:
- urn:nbn:de:bvb:355-epub-19697
- DOI zum Zitieren dieses Dokuments:
- 10.5283/epub.1969
Zusammenfassung
The 2n+1 theorem and the density-functional perturbation theory have been used to calculate anharmonic force constants completely ab initio. Explicit expressions for the anharmonic coupling constants are presented, i.e., for the third-order derivatives of the total energy with respect to atomic displacements. Using the harmonic as well as the anharmonic results the phonon linewidth of Ge and Si ...
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