Publication Date:
2015-11-10
Description:
Author(s): Jonathan H. Lloyd-Williams and Bartomeu Monserrat We study the direct calculation of total energy derivatives for lattice dynamics and electron-phonon coupling calculations using supercell matrices with nonzero off-diagonal elements. We show that it is possible to determine the response of a periodic system to a perturbation characterized by a wave… [Phys. Rev. B 92, 184301] Published Fri Nov 06, 2015
Keywords:
Dynamics, dynamical systems, lattice effects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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