The first principles study on the Boron antimony compound

dc.contributor.authorDeligöz, Engin
dc.contributor.authorÇolakoğlu, K.
dc.contributor.authorÇiftçi, Y.O.
dc.date.accessioned2024-10-15T11:28:20Z
dc.date.available2024-10-15T11:28:20Z
dc.date.issued2007
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractWe present the results of our calculations on Boron antimony (BSb) compound in zinc-blende (ZB) and rock-salt (RS) structures by performing ab initio calculations within the local density approximation (LDA). Some basic physical properties, such as lattice constant, bulk modulus, cohesive energy, phase transition pressure, second-order elastic constants (Cij), phonon frequencies, and some band structural parameters are calculated and compared with those obtained with other recent theoretical works. In order to further understand the behaviour of BSb compound, we have also predicted, the pressure-dependent behaviours of the band gap, second-order elastic constants (Cij), Young's modulus, poison ratios (?), Anizotropy factor (A), sound velocities, and Debye temperature for this hypothetical compound.
dc.identifier.doi10.1016/j.jpcs.2006.11.021
dc.identifier.endpage489en_US
dc.identifier.issue4en_US
dc.identifier.scopusqualityQ1
dc.identifier.startpage482en_US
dc.identifier.urihttps://doi.org/10.1016/j.jpcs.2006.11.021
dc.identifier.urihttps://hdl.handle.net/20.500.12451/12548
dc.identifier.volume68en_US
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Physics and Chemistry of Solids
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.subjectC. Ab Initio Calculations
dc.subjectD. Elastic Properties
dc.subjectD. Electronic Structure
dc.subjectD. Lattice Dynamics
dc.subjectD. Thermodynamic Properties
dc.titleThe first principles study on the Boron antimony compound
dc.typeArticle

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