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FP-LMTO method to calculate the structural, thermodynamic and optoelectronic properties of SixGe1-xC alloys

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Main Authors: Mohammed Ameri, N., Bouzouira, Rabah, Khenata, Prof. Dr., Yarub, Al-Douri, Assoc. Prof. Dr., Bachir, Bouhafs, Saad, Binomran
Other Authors: lttnsameri@yahoo.fr
Format: Article
Language:English
Published: Taylor & Francis 2014
Subjects:
Alloys
Bowing parameter
FP-LMTO
GeC
SiC
Online Access:http://dspace.unimap.edu.my:80/dspace/handle/123456789/32725
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spelling my.unimap-327252014-03-14T02:58:18Z FP-LMTO method to calculate the structural, thermodynamic and optoelectronic properties of SixGe1-xC alloys Mohammed Ameri N., Bouzouira Rabah, Khenata, Prof. Dr. Yarub, Al-Douri, Assoc. Prof. Dr. Bachir, Bouhafs Saad, Binomran lttnsameri@yahoo.fr khenata_rabah@yahoo.fr yarub@unimap.edu.my somran@ksu.edu.sa Alloys Bowing parameter FP-LMTO GeC SiC Link to publisher's homepage at www.taylorandfrancis.com The structural and electronic properties of the ternary Si xGe1-xC alloys have been calculated using the full-potential linear muffin-tin-orbital (FP-LMTO) method based on density functional theory within both local density approximation (LDA) and generalised gradient approximation (GGA). The calculated equilibrium lattice constants and bulk moduli are compared with previous results. The concentration dependence of the electronic band structure and the direct and indirect band gaps are investigated. Using the approach of Zunger and co-workers, the microscopic origins of the band gap bowing are investigated also. Moreover, the refractive index and the optical dielectric constant for SixGe1-xC are studied. The thermodynamic stability of the alloys of interest is investigated by means of the miscibility. This is the first quantitative theoretical prediction to investigate the effective masses, optical and thermodynamic properties for SixGe1-xC alloy, and still awaits experimental confirmations. 2014-03-14T02:58:18Z 2014-03-14T02:58:18Z 2013-11 Article Molecular Physics, vol. 111(21), 2013, pages 3208-3217 0026-8976 http://www.tandfonline.com/doi/abs/10.1080/00268976.2013.775517#.UyJvDT-Syyo http://dspace.unimap.edu.my:80/dspace/handle/123456789/32725 en Taylor & Francis
institution Universiti Malaysia Perlis
building UniMAP Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Perlis
content_source UniMAP Library Digital Repository
url_provider http://dspace.unimap.edu.my/
language English
topic Alloys
Bowing parameter
FP-LMTO
GeC
SiC
spellingShingle Alloys
Bowing parameter
FP-LMTO
GeC
SiC
Mohammed Ameri
N., Bouzouira
Rabah, Khenata, Prof. Dr.
Yarub, Al-Douri, Assoc. Prof. Dr.
Bachir, Bouhafs
Saad, Binomran
FP-LMTO method to calculate the structural, thermodynamic and optoelectronic properties of SixGe1-xC alloys
description Link to publisher's homepage at www.taylorandfrancis.com
author2 lttnsameri@yahoo.fr
author_facet lttnsameri@yahoo.fr
Mohammed Ameri
N., Bouzouira
Rabah, Khenata, Prof. Dr.
Yarub, Al-Douri, Assoc. Prof. Dr.
Bachir, Bouhafs
Saad, Binomran
format Article
author Mohammed Ameri
N., Bouzouira
Rabah, Khenata, Prof. Dr.
Yarub, Al-Douri, Assoc. Prof. Dr.
Bachir, Bouhafs
Saad, Binomran
author_sort Mohammed Ameri
title FP-LMTO method to calculate the structural, thermodynamic and optoelectronic properties of SixGe1-xC alloys
title_short FP-LMTO method to calculate the structural, thermodynamic and optoelectronic properties of SixGe1-xC alloys
title_full FP-LMTO method to calculate the structural, thermodynamic and optoelectronic properties of SixGe1-xC alloys
title_fullStr FP-LMTO method to calculate the structural, thermodynamic and optoelectronic properties of SixGe1-xC alloys
title_full_unstemmed FP-LMTO method to calculate the structural, thermodynamic and optoelectronic properties of SixGe1-xC alloys
title_sort fp-lmto method to calculate the structural, thermodynamic and optoelectronic properties of sixge1-xc alloys
publisher Taylor & Francis
publishDate 2014
url http://dspace.unimap.edu.my:80/dspace/handle/123456789/32725
_version_ 1643796965503270912
score 13.211869

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