Ab-initio calculations on half-Heusler NiXSn (X = Zr, Hf) compounds: electronic and optical properties under pressure

Basit Öğe Kaydı
dc.authoridOZISIK, HACI -- 0000-0002-4011-1720;
dc.contributor.authorÖzışık, Havva Boğaz
dc.contributor.authorAteşer, Engin
dc.contributor.authorÖzışık, Hacı
dc.contributor.authorÇolakoğlu, Kemal
dc.contributor.authorDeligöz, Engin
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T08:36:14Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T08:36:14Z
dc.date.issued2017
dc.department[Ozisik, H. B. -- Ateser, E. -- Deligoz, E.] Aksaray Univ, Dept Phys, TR-68100 Aksaray, Turkey -- [Ozisik, H.] Aksaray Univ, Dept BOTE, TR-68100 Aksaray, Turkey -- [Colakoglu, K.] Gazi Univ, Dept Phys, TR-06500 Ankara, Turkey
dc.description.abstractIn this study, we have investigated the electronic and optical properties of half-Heusler NiXSn (X = Zr, Hf) compounds under pressure by means of first principles calculations. The generalized gradient approximation is used to model exchange-correlation effects. We have estimated a transition from indirect band gap to direct band gap at 50 and 127 GPa for NiZrSn and NiHfSn, respectively. We have also plotted the static dielectric constant versus pressure for both compounds. The obtained results are in agreement with the available experimental and theoretical data.
dc.identifier.doi10.1007/s12648-017-0971-9
dc.identifier.endpage778en_US
dc.identifier.issn0973-1458
dc.identifier.issn0974-9845
dc.identifier.issue7en_US
dc.identifier.scopusqualityQ2
dc.identifier.startpage773en_US
dc.identifier.urihttps://doi.org/10.1007/s12648-017-0971-9
dc.identifier.urihttps://hdl.handle.net/20.500.12451/3213
dc.identifier.volume91en_US
dc.identifier.wosWOS:000407392800007
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherIndian Assoc Cultivation Science
dc.relation.ispartofIndian Journal of Physics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectHalf-Heusler compounds
dc.subjectOptical properties
dc.subjectElectronic properties
dc.subjectNiZrSn
dc.subjectNiHfSn
dc.titleAb-initio calculations on half-Heusler NiXSn (X = Zr, Hf) compounds: electronic and optical properties under pressure
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
[ X ]
İsim:
deligoz-engin-2016.pdf
Boyut:
947.6 KB
Biçim:
Adobe Portable Document Format
Açıklama:
Tam Metin / Full Text
İndir

Koleksiyon

Makale Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu