Ground state electronic configuration of half-Heusler Li-Al-Si compounds: phonon instability and elastic properties

dc.contributor.author	Özışık, H.B.
dc.contributor.author	Çolakoğlu, K.
dc.contributor.author	Özışık, H.
dc.date.accessioned	2023-12-05T11:48:02Z
dc.date.available	2023-12-05T11:48:02Z
dc.date.issued	2010
dc.department	Sabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstract	In this study we present the results of our calculations on the different atomic arrangement of LiAlSi compounds by performing ab initio total energy calculations within the generalized gradient approximation (GGA) in VASP package. Specifically, the structural, electronic, elastic and phonon dispersion are calculated and compared with the available experimental and other theoretical data.
dc.identifier.issue	2	en_US
dc.identifier.startpage	174	en_US
dc.identifier.uri	https://hdl.handle.net/20.500.12451/11331
dc.identifier.volume	16	en_US
dc.language.iso	en
dc.publisher	Gazi Unversity
dc.relation.ispartof	AJP Fizika
dc.relation.publicationcategory	Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rights	info:eu-repo/semantics/openAccess
dc.subject	Ground State Electronic
dc.subject	configuration of half-Heusler Li-Al-Si
dc.title	Ground state electronic configuration of half-Heusler Li-Al-Si compounds: phonon instability and elastic properties
dc.type	Article