Phonon broadening from supercell lattice dynamics: Random and correlated disorder
We demonstrate how supercell implementations of conventional lattice dynamical calculations can be used to determine the extent and nature of disorder-induced broadening in the phonon dispersion spectrum of disordered crystalline materials. The approach taken relies on band unfolding, and is first b...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Published: |
Wiley
2016
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