Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.ssc.2004.08.020
DC FieldValue
dc.titleStructural phase transition of boron nitride compound
dc.contributor.authorAl-Douri, Y.
dc.date.accessioned2014-10-16T09:42:31Z
dc.date.available2014-10-16T09:42:31Z
dc.date.issued2004-11
dc.identifier.citationAl-Douri, Y. (2004-11). Structural phase transition of boron nitride compound. Solid State Communications 132 (7) : 465-470. ScholarBank@NUS Repository. https://doi.org/10.1016/j.ssc.2004.08.020
dc.identifier.issn00381098
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/98060
dc.description.abstractThe full-potential band-structure scheme based on the linear combination of overlapping nonorthogonal local-orbital (FPLO) is used. The crystal potential and density are represented as a lattice sum of local overlapping nonspherical contributions. The energetic transitions of BN of zinc-blende and wurtzite structures are calculated using the band structure scheme. The energy gap at ambient pressure is found to be indirect for the two structures. The structural properties of two structures of BN are (obtained from the total energy calculations) and the total density of states are calculated. The phase transition parameter of BN is investigated. The ionicity character of BN has been calculated to test the validity of our recent models. The results are in reasonable agreement with experimental and other theoretical results. © 2004 Elsevier Ltd. All rights reserved.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1016/j.ssc.2004.08.020
dc.sourceScopus
dc.subjectA. Semiconductors
dc.subjectD. Crystal binding and equation of state
dc.subjectD. Electronic band structures
dc.subjectD. Phase transitions
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.doi10.1016/j.ssc.2004.08.020
dc.description.sourcetitleSolid State Communications
dc.description.volume132
dc.description.issue7
dc.description.page465-470
dc.description.codenSSCOA
dc.identifier.isiut000224867300008
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