Trap-recharging waves versus damped,forced charge-density oscillations in hexagonal silicon carbide |
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| Authors: | M Lemmer B Hilling M Wöhlecke M Imlau A A Lebedev V V Bryksin M P Petrov |
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| Institution: | (1) Laboratoire d'optoélectronique et composants, Département de Physique, Université Ferhat Abbas, Sétif, 19000, Algeria;(2) Department of Physics, Faculty of Science, King Khalid University, Abha, P.O. Box, 9004, Saudi Arabia |
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| Abstract: | The structural parameters and hydrostatic pressure coefficients of
CdSxTe1-x in the two phases, namely zinc-blende and NaCl as well
as the transition pressures from zinc-blende to NaCl structures at various S
concentrations are presented. The calculations are performed using the full
potential linearized augmented plane wave (FP-LAPW) method within the
density functional theory (DFT) in the local density approximation (LDA),
and two developed refinements, namely the generalized gradient approximation
(GGA) of Perdew et al. for the structural properties and
Engel-Vosko for the band structure calculations. Detailed
comparisons are made with published experimental and theoretical data and
show generally good agreement. The present results regarding the studied
quantities for compositions x in the 0–1 range (0 < x < 1) and for the NaCl
phase are predictions and may serve as a reference for experimental work. |
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| Keywords: | 71 15 Mb Density functional theory local density approximation gradient and other corrections 71 20 Nr Semiconductor compounds |
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