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Structural and optoelectronic properties of NiTiX and CoVX (X = Sb and Sn) half-Heusler compounds: An ab initio study

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Main Authors: Ameri, M., Touia, A., Khenata, R., Yarub, Al - Douri, Baltache, H.b
Other Authors: yarub@unimap.edu.my
Format: Article
Published: Elsevier GmbH. 2013
Subjects:
Effective mass
FP-LMTO
Half-Heusler alloys
Structural properties
Online Access:http://dspace.unimap.edu.my/xmlui/handle/123456789/26007
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spelling my.unimap-260072013-06-24T05:02:46Z Structural and optoelectronic properties of NiTiX and CoVX (X = Sb and Sn) half-Heusler compounds: An ab initio study Ameri, M. Touia, A. Khenata, R. Yarub, Al - Douri Baltache, H.b yarub@unimap.edu.my Effective mass FP-LMTO Half-Heusler alloys Structural properties Link to publisher's homepage at http://www.elsevier.com/ We have performed ab-initio self-consistent calculations using the full-potential linear muffin-tin orbital (FP-LMTO) method to investigate the structural and the electronic properties of some half-Heusler alloys. The local density and generalized gradient approximations were used for NiTiSn and CoVSn alloys. Due to the metallic characters of both NiTiSb and CoVSb compounds, the local spin density approximation was used. Lattice constants, bulk moduli, and the pressure derivatives of the bulk moduli are calculated, band structure and density of states are drawn and effective masses are investigated. To our knowledge this is the first quantitative theoretical prediction of the effective masses for the investigated compounds and still awaits experimental confirmations. The obtained results are agreed well with the other published values. 2013-06-24T05:02:46Z 2013-06-24T05:02:46Z 2013-04 Article Optik, vol. 124(7), 2013, pages 570-574 0030-4026 http://www.sciencedirect.com/science/article/pii/S0030402612000629 http://hdl.handle.net/123456789/26007 Elsevier GmbH.
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/
topic Effective mass
FP-LMTO
Half-Heusler alloys
Structural properties
spellingShingle Effective mass
FP-LMTO
Half-Heusler alloys
Structural properties
Ameri, M.
Touia, A.
Khenata, R.
Yarub, Al - Douri
Baltache, H.b
Structural and optoelectronic properties of NiTiX and CoVX (X = Sb and Sn) half-Heusler compounds: An ab initio study
description Link to publisher's homepage at http://www.elsevier.com/
author2 yarub@unimap.edu.my
author_facet yarub@unimap.edu.my
Ameri, M.
Touia, A.
Khenata, R.
Yarub, Al - Douri
Baltache, H.b
format Article
author Ameri, M.
Touia, A.
Khenata, R.
Yarub, Al - Douri
Baltache, H.b
author_sort Ameri, M.
title Structural and optoelectronic properties of NiTiX and CoVX (X = Sb and Sn) half-Heusler compounds: An ab initio study
title_short Structural and optoelectronic properties of NiTiX and CoVX (X = Sb and Sn) half-Heusler compounds: An ab initio study
title_full Structural and optoelectronic properties of NiTiX and CoVX (X = Sb and Sn) half-Heusler compounds: An ab initio study
title_fullStr Structural and optoelectronic properties of NiTiX and CoVX (X = Sb and Sn) half-Heusler compounds: An ab initio study
title_full_unstemmed Structural and optoelectronic properties of NiTiX and CoVX (X = Sb and Sn) half-Heusler compounds: An ab initio study
title_sort structural and optoelectronic properties of nitix and covx (x = sb and sn) half-heusler compounds: an ab initio study
publisher Elsevier GmbH.
publishDate 2013
url http://dspace.unimap.edu.my/xmlui/handle/123456789/26007
_version_ 1643794808118968320
score 13.209306

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