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dc.contributor.authorAli Hussain, Reshak, Prof. Dr.
dc.contributor.authorKamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.
dc.contributor.authorAuluck, Sushil, Dr.
dc.date.accessioned2014-01-14T13:09:57Z
dc.date.available2014-01-14T13:09:57Z
dc.date.issued2012-02
dc.identifier.citationJournal of Solid State Chemistry, vol. 186, 2012, pages 47-53en_US
dc.identifier.issn0022-4596
dc.identifier.urihttp://www.sciencedirect.com/science/article/pii/S0022459611006219
dc.identifier.urihttp://dspace.unimap.edu.my:80/dspace/handle/123456789/31193
dc.descriptionLink to publisher's homepage at http://www.elsevier.com/en_US
dc.description.abstractThe structural and electronic properties of cubic GaAs 1-xBi x alloys with bismuth concentration 0.0, 0.25, 0.50, 0.75 and 1.0 are studied using the 'special quasi-random structures' (SQS) approach of Zunger along with the generalized gradient approximation (GGA) and the EngelVosko generalized gradient approximation (EV-GGA). The lattice constant, bulk modulus, derivative of bulk modulus and energy gap vary with bismuth concentration nonlinearly. The present calculations show that the band gap decreases substantially with increasing bismuth concentration and that spinorbit coupling influences the nature of bonding at high Bi concentrations.en_US
dc.language.isoenen_US
dc.publisherElsevier Inc.en_US
dc.subjectGaAs1−xBix alloysen_US
dc.subjectBismuth-containing semiconductorsen_US
dc.subjectDFTen_US
dc.subjectFPLAPWen_US
dc.titleBismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloysen_US
dc.typeArticleen_US
dc.contributor.urlmaalidph@yahoo.co.uken_US
dc.contributor.urlkamarudin@unimap.edu.myen_US
dc.contributor.urlsauluck@iitk.ac.inen_US


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