Ab initio Study of TlBr intermetallic compound

dc.contributor.author	Kahveci, N.
dc.contributor.author	Çiftçi, Y.O.
dc.contributor.author	Çolakoğlu, K.
dc.contributor.author	Özışık, H.B.
dc.date.accessioned	2023-12-04T12:19:10Z
dc.date.available	2023-12-04T12:19:10Z
dc.date.issued	2010
dc.department	Sabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstract	In this work, we have performed a first-principles study on TlBr compound by using the density functional theory implemented in GGA approximations in cubic crystal structure. Based on the optimized structural parameter, which is in good agreement with the experimental data, the electronic structure, elastic and thermodynamics properties are calculated. We have, also, predicted the temperature and pressure variation of the volume, bulk modulus, thermal expansion coefficient, heat capacities, and Debye temperatures in a wide pressure (0 - 30 GPa) and temperature ranges (0- 400 K).
dc.identifier.issue	2	en_US
dc.identifier.startpage	243	en_US
dc.identifier.uri	https://hdl.handle.net/20.500.12451/11328
dc.identifier.volume	16	en_US
dc.language.iso	en
dc.publisher	Gazi Universty
dc.relation.ispartof	AJP Fizika
dc.relation.publicationcategory	Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rights	info:eu-repo/semantics/openAccess
dc.subject	Ab initio
dc.subject	Study of TlBr
dc.subject	Intermetallic Compound
dc.title	Ab initio Study of TlBr intermetallic compound
dc.type	Article