Article ID Journal Published Year Pages File Type
1560575 Computational Materials Science 2014 7 Pages PDF
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.
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
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