Physics – Condensed Matter – Materials Science
Scientific paper
2009-10-02
Physics
Condensed Matter
Materials Science
18 pages, 3 figures
Scientific paper
We propose here a formal foundation for practical calculations of vibrational mode lifetimes in solids. The approach is based on a recursion method analysis of the Liouvillian. From this we derive the lifetime of a vibrational mode in terms of moments of the power spectrum of the Liouvillian as projected onto the relevant subspace of phase space. In practical terms, the moments are evaluated as ensemble averages of well-defined operators, meaning that the entire calculation is to be done with Monte Carlo. These insights should lead to significantly shorter calculations compared to current methods. A companion piece presents numerical results.
Daw Murray S.
Dickel Doyl
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