The Structural, Elastic, Electronic and Thermodynamical Properties of CaBi: A First-Principles Study

dc.contributor.authorDeligöz, Engin
dc.contributor.authorÇolakoğlu, Kemal
dc.contributor.authorÇiftçi, Yasemin
dc.date.accessioned2024-07-10T13:50:26Z
dc.date.available2024-07-10T13:50:26Z
dc.date.issued2008
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractWe have studied some structural, thermo dynamical, elastic, and electronic properties of CaBi in non- magnetic states without spin polarization by performing ab initio calculations within the LDA approximations. The some basic ground state physical properties, such as lattice constant, bulk modulus, second-order elastic constants (Cij), the phase transition pressure from the NaCl (RS) to CsCl (B2) structure, and the electronic band structures for the most stable phase, are calculated, and compared with the other theoretical work. In order to gain some further information, we have, also, predicted the Young’s modulus, Poison ratio (?), Anisotropy factor (A), sound velocities, and Debye temperature for B1 phase, and the reasonable values are found.
dc.identifier.endpage321en_US
dc.identifier.issn1301-8329
dc.identifier.startpage317en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12451/12102
dc.language.isoen
dc.publisherBoğaziçi University
dc.relation.ispartof24th International Physics Congress of Turkish Physics Society, 28-31 August 2007, Malatya-Turkey
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectCaBi
dc.subjectBand Structure
dc.subjectElastic Constants
dc.subjectThermodynamical Properties
dc.titleThe Structural, Elastic, Electronic and Thermodynamical Properties of CaBi: A First-Principles Study
dc.typeConference Object

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