Dynamical, dielectric, and elastic properties of GeTe

Autor: Shaltaf, R., Durgun, E., Raty, J. -Y., Ghosez, Ph., Gonze, X.
Rok vydání: 2008
Předmět:
Druh dokumentu: Working Paper
DOI: 10.1103/PhysRevB.78.205203
Popis: The dynamical, dielectric and elastic properties of GeTe, a ferroelectric material in its low temperature rhombohedral phase, have been investigated using first-principles density functional theory. We report the electronic energy bands, phonon dispersion curves, electronic and low frequency dielectric tensors, infra-red reflectivity, Born effective charges, elastic and piezoelectric tensors and compare them with the existing theoretical and experimental results, as well as with similar quantities available for other ferroelectric materials, when appropriate.
Databáze: arXiv