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dc.contributor.authorBaaziz, H.
dc.contributor.authorCharifi, Z.
dc.contributor.authorAli Hussain, Reshak, Prof. Dr.
dc.contributor.authorHamad, Bothina A.
dc.contributor.authorYarub, Al-Douri
dc.date.accessioned2013-04-01T02:46:25Z
dc.date.available2013-04-01T02:46:25Z
dc.date.issued2012-03
dc.identifier.citationApplied Physics A: Materials Science and Processing, vol. 106 (3), 2012, pages 687-696en_US
dc.identifier.issn0947-8396
dc.identifier.urihttp://link.springer.com/article/10.1007%2Fs00339-011-6666-8
dc.identifier.urihttp://dspace.unimap.edu.my/123456789/24190
dc.descriptionLink to publisher's homepage at http://www.springer.com/en_US
dc.description.abstractThe structural and electronic properties of cubic GaN x As 1-x with N-concentration varying between 0.0 and 1.0 with step of 0.25 were investigated using the full potential-linearized augmented plane wave (FP-LAPW) method. We have used the local density approximation (LDA) and the generalized gradient approximation (GGA) for the exchange and correlation potential. In addition the Engel-Vosko generalized gradient approximation (EVGGA) was used for the band-structure calculations. The structural properties of the binary and ternary alloys were investigated. The electronic band structure, total and partial density of states as well as the electron charge density were determined for both the binary and their related ternary alloys. The energy gap of the alloys decreases when we move from x=0.0 to 0.25; then it increases by a factor of about 1.8 when we move from 0.25 to 0.5, 0.75 and 1.0 using EVGGA. For both LDA and GGA moving from x=0.0 to 0.25 causes the band gap to close, showing the metallic nature of the GaN 0.25As 0.75 alloy. When the composition of N moves through x=0.25, 0.5, 0.75 and 1, the band gap increases.en_US
dc.language.isoenen_US
dc.publisherSpringer-Verlag.en_US
dc.subjectBand structure calculationen_US
dc.subjectElectron charge densityen_US
dc.subjectExchange and correlationen_US
dc.subjectElectronic band structureen_US
dc.subjectFull potential linearized augmented plane wave methoden_US
dc.subjectGeneralized gradient approximationsen_US
dc.subjectPartial density of stateen_US
dc.titleStructural and electronic properties of GaN x As 1-x alloysen_US
dc.typeArticleen_US
dc.contributor.urlcharifizoulikha@gmail.comen_US
dc.contributor.urlalijaary@unimap.edu.myen_US
dc.contributor.urlyarub@unimap.edu.myen_US


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