Lattice dynamical properties of TcB2 compound

Deligöz, Engin; Çolako?lu, Kemal; Boğaz Özışık, Havva; Çiftçi, Yasemin Öztekin

Lattice dynamical properties of TcB2 compound

dc.contributor.author	Deligöz, Engin
dc.contributor.author	Çolako?lu, Kemal
dc.contributor.author	Boğaz Özışık, Havva
dc.contributor.author	Çiftçi, Yasemin Öztekin
dc.date.accessioned	2019-07-12T10:57:53Z
dc.date.available	2019-07-12T10:57:53Z
dc.date.issued	2012
dc.department	Sabire Yazıcı Fen Edebiyat Fakültesi
dc.description	Deligöz, Engin (Aksaray, Yazar) Özışık, Havva (Aksaray, Yazar)
dc.description.abstract	The structural, lattice dynamical, and some thermodynamical properties of TcB 2 in hexagonal AlB 2-type structure (Hex-I) (space group P6/mmm), hexagonal ReB 2-type structure (Hex-II) (space group P63/mmc) are investigated using first-principles calculations. The phonon dispersion curves are derived from the direct method. The present results show that this compound is dynamically stable for considered structures. The temperature-dependent behavior of thermodynamical properties such as internal energy, free energy, entropy, and heat capacity are also presented and trends are discussed.
dc.identifier.doi	10.1016/j.solidstatesciences.2012.04.014
dc.identifier.endpage	800	en_US
dc.identifier.issn	1293-2558
dc.identifier.issue	7	en_US
dc.identifier.scopusquality	Q1
dc.identifier.startpage	794	en_US
dc.identifier.uri	https://dx.doi.org/10.1016/j.solidstatesciences.2012.04.014
dc.identifier.uri	https://hdl.handle.net/20.500.12451/2227
dc.identifier.volume	14	en_US
dc.identifier.wosquality	N/A
dc.indekslendigikaynak	Web of Science
dc.indekslendigikaynak	Scopus
dc.language.iso	en
dc.publisher	Elsevier
dc.relation.ispartof	Solid State Sciences
dc.relation.publicationcategory	Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rights	info:eu-repo/semantics/closedAccess
dc.subject	Phonon Properties
dc.subject	TcB 2
dc.subject	Thermodynamical Properties
dc.title	Lattice dynamical properties of TcB2 compound
dc.type	Article