Vibrational stability of RNiAl3 (R=Sc, Y) Compounds

dc.contributor.author	Altay, Mehtap
dc.contributor.author	Özışık, Hacı
dc.contributor.author	Deligöz, Engin
dc.contributor.author	Boğaz Özışık, Havva
dc.date.accessioned	2023-12-19T11:02:35Z
dc.date.available	2023-12-19T11:02:35Z
dc.date.issued	2019
dc.department	Sabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstract	We have used to ab-initio methods for determining the vibrational and thermodynamical properties for the ScNiAl3 and YNiAl3 compounds in orthorhombic Pnma structure (Space Group No: 62). The pseudopotential plane-wave approach is used based on density functional theory and implemented in the VASP package. The present phonon frequencies of ScNiAl3 and YNiAl3 compounds are calculated using the Phonopy code and DFPT methods. Also, the temperature dependent free energy, entropy and heat capacity quantities were calculated and discussed.
dc.identifier.endpage	508	en_US
dc.identifier.startpage	504	en_US
dc.identifier.uri	https://hdl.handle.net/20.500.12451/11355
dc.language.iso	en
dc.publisher	Book of Proceedings
dc.relation.ispartof	International Turkic World Congress on Science and Engineering
dc.relation.publicationcategory	Konferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rights	info:eu-repo/semantics/openAccess
dc.subject	First Principles
dc.subject	Vibrational Properties
dc.subject	ScNiAl3
dc.subject	YNiAl3
dc.title	Vibrational stability of RNiAl3 (R=Sc, Y) Compounds
dc.type	Conference Object