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 as a function of temperature has been calculated for various branches and various (in particular, for nonvanishing) wave vectors completely ab initio.
|Institutions:||Physics > Institute of Theroretical Physics > Retired Professors > Group Dieter Strauch|
|Subjects:||500 Science > 530 Physics|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||Yes|
|Owner:||Dr. Gernot Deinzer|
|Deposited On:||27 Mar 2007|
|Last Modified:||20 Jul 2011 21:05|