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dc.contributor.authorYarub, Al - Douri
dc.contributor.authorBaaziz, H.
dc.contributor.authorCharifi, Z.
dc.contributor.authorAli Hussain, Reshak, Prof. Dr.
dc.date.accessioned2013-01-11T03:13:44Z
dc.date.available2013-01-11T03:13:44Z
dc.date.issued2012-02-01
dc.identifier.citationPhysica B: Condensed Matter, vol. 407 (3), 2012, pages 286-295en_US
dc.identifier.issn0921-4526
dc.identifier.urihttp://www.sciencedirect.com/science/article/pii/S0921452611010301
dc.identifier.urihttp://dspace.unimap.edu.my/123456789/22941
dc.descriptionLink to publisher's homepage at http://www.elsevier.com/en_US
dc.description.abstractThe structural, electronic and optical properties of beryllium chalcogenides BeS, BeSe and BeTe using the full-potential linear augmented plane wave (FP-LAPW) method are investigated. The exchangecorrelation energy within the local density approximation (LDA) and the generalized gradient approximation (GGA) are described. The EngelVosko (EVGGA) formalism is applied for electronic and optical properties. The structural parameters of our model and the transition pressure from zinc-blende (B3) to the NiAs (B8) phase are confirmed. It is found that these compounds have indirect band gaps except for BeTe in NiAs (B8) phase. The results of reflectivity, refractive index and optical dielectric functions of Be compounds are investigated. An agreement is found between our results and those of other theoretical calculations and the experimental data.en_US
dc.language.isoenen_US
dc.publisherElsevier B.V.en_US
dc.subjectChalcogenideen_US
dc.subjectEngelVosko (EVGGA)en_US
dc.subjectLinear augmented plane wave (LAPW)en_US
dc.subjectPhase transitionen_US
dc.titleDensity functional study of optical properties of beryllium chalcogenides compounds in nickel arsenide B8 structureen_US
dc.typeArticleen_US
dc.contributor.urlyarub@unimap.edu.myen_US


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