Title of article :
Improved calculation of vibrational mode lifetimes in anharmonic solids – Part III: Extension to fourth moment
Author/Authors :
Gao، نويسنده , , Yang and Dickel، نويسنده , , Doyl and Harrison، نويسنده , , David and Daw، نويسنده , , Murray S.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2014
Pages :
7
From page :
12
To page :
18
Abstract :
A recent scheme for calculating approximate vibrational mode lifetimes in solids (Dickel and Daw, 2010) [1,2] is extended to the next level (fourth-moment). The extension is tested in two cases: (1) simple, low-dimensional anharmonic systems, and (2) on a simple lattice model of vibrations. We show that, for systems where the mode-resolved density of states is well-approximated by a single broadened peak, the fourth-moment approximation works well over a wide range of temperatures.
Keywords :
Mode lifetime , Monte Carlo , Liouvillian , anharmonicity
Journal title :
Computational Materials Science
Serial Year :
2014
Journal title :
Computational Materials Science
Record number :
1692808
Link To Document :
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