The First-Principle Study on The Holmium Oxonitridosilicate (Ho3Si5N9O) Compound: Mechanical and Electronic Properties

dc.contributor.author	Altay, Mehtap
dc.contributor.author	Özışık, Hacı
dc.contributor.author	Özışık, Havva
dc.contributor.author	Deligöz, Engin
dc.date.accessioned	2023-12-19T08:19:56Z
dc.date.available	2023-12-19T08:19:56Z
dc.date.issued	2018
dc.department	Sabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstract	We have used to ab-initio methods for determining the structural, electronic, and elastic properties for the Ho3Si5N9O compound in the orthorhombic Pbcm structure (Space Group No:57, Z=4). The DFT-PBE and PPPAW approaches are used for predictions which implemented in the VASP package. We have computed the basic physical parameters such as lattice constants, bulk modulus, elastic constants. The calculations reveal that Ho3Si5N9O is mechanically stable and that an indirect band gap semiconductor compound.
dc.identifier.endpage	160	en_US
dc.identifier.startpage	157	en_US
dc.identifier.uri	https://hdl.handle.net/20.500.12451/11352
dc.language.iso	en
dc.publisher	(WITAM-2018
dc.relation.ispartof	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	DFT
dc.subject	Ab-initio
dc.subject	Oxonitridosilicate
dc.subject	Ho3Si5N9O
dc.title	The First-Principle Study on The Holmium Oxonitridosilicate (Ho3Si5N9O) Compound: Mechanical and Electronic Properties
dc.type	Conference Object