Deinzer, Gernot and Birner, Gerd and Strauch, Dieter (2003) Ab initio calculation of the linewidth of various phonon modes in germanium and silicon. Physical Review B 67 (14), p. 144304.
Other URL: http://link.aps.org/abstract/PRB/v67/e144304
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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|Institutions:||Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Dieter Strauch|
|Dewey Decimal Classification:||500 Science > 530 Physics|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||Yes|
|Deposited On:||27 Mar 2007|
|Last Modified:||13 Mar 2014 10:11|