Ab-initio study of La3Tl Compound

dc.contributor.author	Koçak, B.
dc.contributor.author	Çiftçi. Y.Ö.
dc.contributor.author	Çolakoğlu, K.
dc.contributor.author	Özışık, H.B.
dc.date.accessioned	2023-12-05T12:31:59Z
dc.date.available	2023-12-05T12:31:59Z
dc.date.issued	2010
dc.department	Sabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstract	We present a study of the structural, elastic, and thermodynamical properties of the superconductor La3Tl compound, using density-functional theory within the generalized gradient approximation of the exchange-correlation functional. The optimized lattice parameter, elastic moduli, Zener anisotropy factor (A), Poisson’s ratio (?), Young’s modulus (Y), shear modulus (C'), are systematically investigated and comparison with other experimental and theoretical calculations. Our structural results are well consistent with experimental works. Additionally, thermodynamical properties such as pressure (0-15GPa) and temperature (01600K) dependence of lattice parameter, bulk modulu and Debye temperature are discussed by quasi-harmonic Debye model.
dc.identifier.endpage	112	en_US
dc.identifier.uri	https://hdl.handle.net/20.500.12451/11334
dc.identifier.volume	16	en_US
dc.language.iso	en
dc.publisher	Gazi University
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 Study
dc.subject	La3Tl Compound
dc.title	Ab-initio study of La3Tl Compound
dc.type	Article