The first principles structural study on the Barium Oxonitrido silicate BaSi4O6N2 compound

dc.contributor.author	Özışık, Hacı
dc.contributor.author	Deligöz, Engin
dc.contributor.author	Boğaz Özışık, Havva
dc.date.accessioned	2023-12-19T06:53:18Z
dc.date.available	2023-12-19T06:53:18Z
dc.date.issued	2018
dc.department	Sabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstract	By means of first principles calculations, we have studied the structural, electronic, elastic and anisotropy properties of the Barium Oxonitrido silicate (BaSi4O6N2) compounds. The recent study showed that it’s crystal structure is in the hexagonal (P6/mmm, SPG No: 191) where 1a and 1b sites partially occupied by Ba atom with 0.871 and 0.129 ratio, respectively [1]. The elastic constants and lattice dynamical properties of this compound are calculated and its stability is discussed.
dc.identifier.endpage	74	en_US
dc.identifier.startpage	71	en_US
dc.identifier.uri	https://hdl.handle.net/20.500.12451/11348
dc.language.iso	en
dc.publisher	(WITAM-2018)
dc.relation.ispartof	Presented at The International Congress on The World of Technology and Advanced Materials (WITAM-2018),
dc.relation.publicationcategory	Konferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rights	info:eu-repo/semantics/openAccess
dc.subject	BaSi4O6N2
dc.title	The first principles structural study on the Barium Oxonitrido silicate BaSi4O6N2 compound
dc.type	Conference Object