Ab initio calculations, based on norm-conserving pseudopotentials and density functional theory, have been performed to investigate elastic, electronic and lattice dynamical properties of chalcogenides (CdS, CdSe, and CdTe). The calculated lattice parameters, elastic constants, band structures, and phonon dispersions are in good agreement with available experimental and theoretical results. We also presented the pressure-dependence of elastic constants and the pressure-dependence of band gaps.
Description
ScienceDirect.com - Physica B: Condensed Matter - Elastic, electronic, and lattice dynamical properties of CdS, CdSe, and CdTe
%0 Journal Article
%1 Deligoz2006124
%A Deligoz, E.
%A Colakoglu, K.
%A Ciftci, Y.
%D 2006
%J Physica B: Condensed Matter
%K CdS CdSe CdTe Elastic ElectronicStructure
%N 1
%P 124 - 130
%R 10.1016/j.physb.2005.11.099
%T Elastic, electronic, and lattice dynamical properties of CdS, CdSe, and CdTe
%U http://www.sciencedirect.com/science/article/pii/S0921452605013153
%V 373
%X Ab initio calculations, based on norm-conserving pseudopotentials and density functional theory, have been performed to investigate elastic, electronic and lattice dynamical properties of chalcogenides (CdS, CdSe, and CdTe). The calculated lattice parameters, elastic constants, band structures, and phonon dispersions are in good agreement with available experimental and theoretical results. We also presented the pressure-dependence of elastic constants and the pressure-dependence of band gaps.
@article{Deligoz2006124,
abstract = {Ab initio calculations, based on norm-conserving pseudopotentials and density functional theory, have been performed to investigate elastic, electronic and lattice dynamical properties of chalcogenides (CdS, CdSe, and CdTe). The calculated lattice parameters, elastic constants, band structures, and phonon dispersions are in good agreement with available experimental and theoretical results. We also presented the pressure-dependence of elastic constants and the pressure-dependence of band gaps.},
added-at = {2012-10-01T21:43:09.000+0200},
author = {Deligoz, E. and Colakoglu, K. and Ciftci, Y.},
biburl = {https://www.bibsonomy.org/bibtex/22b407afba86ef5b8acd17b87f07c325b/chengguang},
description = {ScienceDirect.com - Physica B: Condensed Matter - Elastic, electronic, and lattice dynamical properties of CdS, CdSe, and CdTe},
doi = {10.1016/j.physb.2005.11.099},
interhash = {0f5be7c5ea638f8535c5bf9d40c9d4a8},
intrahash = {2b407afba86ef5b8acd17b87f07c325b},
issn = {0921-4526},
journal = {Physica B: Condensed Matter},
keywords = {CdS CdSe CdTe Elastic ElectronicStructure},
number = 1,
pages = {124 - 130},
timestamp = {2012-10-01T21:43:09.000+0200},
title = {Elastic, electronic, and lattice dynamical properties of CdS, CdSe, and CdTe},
url = {http://www.sciencedirect.com/science/article/pii/S0921452605013153},
volume = 373,
year = 2006
}