The structural, elastic, and electronic properties of the pyrite-type phase for SnO2

Deligöz, Engin; Çolakoğlu, K.; Çiftçi, Y.O.

The structural, elastic, and electronic properties of the pyrite-type phase for SnO2

dc.contributor.author	Deligöz, Engin
dc.contributor.author	Çolakoğlu, K.
dc.contributor.author	Çiftçi, Y.O.
dc.date.accessioned	2024-10-15T08:43:22Z
dc.date.available	2024-10-15T08:43:22Z
dc.date.issued	2008
dc.department	Sabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstract	We have studied some structural, thermodynamic, elastic, and electronic properties of pyrite-type SnO2 polymorph by performing ab initio calculations within the LDA approximation. The basic physical properties, in particular lattice constant, bulk modulus, second-order elastic constants (Cij), and the electronic structure, are calculated, and compared with the available experimental data. In order to gain some further information on the mechanical properties, we have also calculated the Young's modulus, Poison's ratio (?), anisotropy factor (A), sound velocities, and Debye temperature for the same compound.
dc.identifier.doi	10.1016/j.jpcs.2007.09.019
dc.identifier.endpage	864	en_US
dc.identifier.issue	4	en_US
dc.identifier.scopusquality	Q1
dc.identifier.startpage	859	en_US
dc.identifier.uri	https://doi.org/10.1016/j.jpcs.2007.09.019
dc.identifier.uri	https://hdl.handle.net/20.500.12451/12547
dc.identifier.volume	69	en_US
dc.indekslendigikaynak	Scopus
dc.language.iso	en
dc.publisher	Elsevier
dc.relation.ispartof	Journal of Physics and Chemistry of Solids
dc.relation.publicationcategory	Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rights	info:eu-repo/semantics/embargoedAccess
dc.subject	C. ab initio Calculations
dc.subject	D. Elastic Properties
dc.subject	D. Electronic Structure
dc.subject	D. Thermodynamic Properties
dc.title	The structural, elastic, and electronic properties of the pyrite-type phase for SnO2
dc.type	Article