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dc.contributor.authorDaoudi, B.
dc.contributor.authorSehil, M.
dc.contributor.authorBoukraa, A.
dc.contributor.authorAbid, H.
dc.date.accessioned2008-10-10T03:33:22Z
dc.date.available2008-10-10T03:33:22Z
dc.date.issued2008
dc.identifier.citationInternational Journal of Nanoelectronics and Materials, vol. 1 (1), 2008, pages 65-79.en_US
dc.identifier.issn1985-5761 (Printed)
dc.identifier.issn1997-4434 (Online)
dc.identifier.urihttp://www.unimap.edu.my
dc.identifier.urihttp://dspace.unimap.edu.my/123456789/2369
dc.descriptionLink to publisher's homepage at http://www.unimap.edu.my/ ; Open access only applicable for vol. 1; issue 1, 2008.en_US
dc.description.abstractWe present first-principals all-electrons total-energy calculations concerning structural and electronic properties for the group III-V zinc-blend-like compounds AlN, GaN and InN using the full-potential linearized augmented plane wave (FP-LAPW) approach within the density functional theory (D.F.T) in the local density approximation (L.D.A) and the generalized gradient approximation (G.G.A) for the exchange correlations functional. Moreover, we have calculated bulk properties, including ground-state energies, lattice parameters, bulk modulus, its derivatives, cohesive energy and band structures. We find that the GGA yields improved physical properties for bulk AlN compared to the LDA. For GaN and InN, essentially no improvement is found: the LDA exhibits over binding, whereas the GGA shows a tendency for under binding. The degree of under binding and the overestimation of lattice parameters as obtained within the GGA increase on going from InN to GaN. Band structures are found to be very similar within the LDA and the GGA, for AlN, GaN and InN, therefore, the GGA does not offer any significant advantages.en_US
dc.language.isoenen_US
dc.publisherUniversiti Malaysia Perlisen_US
dc.subjectFP-LAPWen_US
dc.subjectLDAen_US
dc.subjectGGAen_US
dc.subjectSemiconductorsen_US
dc.subjectNitride compounden_US
dc.subjectGallium nitrideen_US
dc.subjectSemiconductors -- Materialsen_US
dc.titleFP-LAPW calculations of ground state properties for AlN, GaN and InN compoundsen_US
dc.typeArticleen_US


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