[en] 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, infrared reflectivity, Born effective charges, and 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.
Disciplines :
Physics
Author, co-author :
Shaltaf, R.
Durgun, Engin ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Raty, Jean-Yves ; Université de Liège - ULiège > Département de physique > Physique de la matière condensée
Ghosez, Philippe ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Gonze, X.
Language :
English
Title :
Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory
Publication date :
2008
Journal title :
Physical Review. B, Condensed Matter and Materials Physics
ISSN :
1098-0121
eISSN :
1550-235X
Publisher :
American Physical Society, Woodbury, United States - New York
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