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Ab initio calculation of the linewidth of various phonon modes in germanium and silicon

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.

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Abstract

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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Item Type:Article
Date:April 2003
Institutions:Physics > Institute of Theroretical Physics > Retired Professors > Group Dieter Strauch
Identification Number:
ValueType
10.1103/PhysRevB.67.144304DOI
Subjects:500 Science > 530 Physics
Status:Published
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:13 Mar 2014 10:11
Item ID:1969
Owner Only: item control page

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