First principles study on the structural, electronic, and elastic properties of Na-As systems

Basit Öğe Kaydı
dc.authoridOZISIK, HACI -- 0000-0002-4011-1720; Colakoglu, Kemal -- 0000-0003-4108-2404; Bogaz Ozisik, Havva -- 0000-0002-8886-9151
dc.contributor.authorÖzışık, H. B.
dc.contributor.authorÇolakoğlu, K.
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÖzışık, H.
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-29T19:29:41Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-29T19:29:41Z
dc.date.issued2011
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractWe have performed the first principles calculation by using the plane-wave pseudopotential approach with the generalized gradient approximation for investigating the structural, electronic, and elastic properties Na-As systems (NaAs in NaP, LiAs and AuCu-type structures, NaAs2 in MgCu2-type structure, Na3As in Na3As, Cu3P and Li3Bi-type structures, and Na5As4 in A(5)B(4)-type structure). The lattice parameters, cohesive energy, formation energy, bulk modulus, and the first derivative of bulk modulus (to fit to Murnaghan's equation of state) of the related structures are calculated. The second-order elastic constants and the other related quantities such as Young's modulus, shear modulus, Poisson's ratio, sound velocities, and Debye temperature are also estimated. (C) 2011 Elsevier Ltd. All rights reserved.
dc.identifier.doi10.1016/j.ssc.2011.06.019
dc.identifier.endpage1354en_US
dc.identifier.issn0038-1098
dc.identifier.issn1879-2766
dc.identifier.issue19en_US
dc.identifier.scopusqualityQ2
dc.identifier.startpage1349en_US
dc.identifier.urihttps://doi.org/10.1016/j.ssc.2011.06.019
dc.identifier.urihttps://hdl.handle.net/20.500.12451/6197
dc.identifier.volume151en_US
dc.identifier.wosWOS:000295492200011
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofSolid State Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectMechanical Properties
dc.subjectElectronic Band Structure
dc.subjectPhase Transition
dc.titleFirst principles study on the structural, electronic, and elastic properties of Na-As systems
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
[ X ]
İsim:
ozisik-h. b. -2011.html
Boyut:
243.16 KB
Biçim:
Hypertext Markup Language
Açıklama:
Tam Metin / Full Text
İndir

Koleksiyon

Makale Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu