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First-Principles Investigation of Structural, Electronic and Dynamical Properties in Scausn Alloy

dc.authorid Ugur, Sule/0000-0001-6710-8815
dc.authorid Ugur, Gokay/0000-0003-4764-4113
dc.authorid Soyalp, Fethi/0000-0002-4053-2189
dc.authorscopusid 8952053200
dc.authorscopusid 7004261573
dc.authorscopusid 55908046100
dc.authorwosid Ugur, Sule/B-6230-2016
dc.authorwosid Ugur, Gokay/B-6223-2016
dc.contributor.author Soyalp, F.
dc.contributor.author Ugur, S.
dc.contributor.author Ugur, G.
dc.date.accessioned 2025-05-10T17:30:02Z
dc.date.available 2025-05-10T17:30:02Z
dc.date.issued 2007
dc.department T.C. Van Yüzüncü Yıl Üniversitesi en_US
dc.department-temp [Soyalp, F.] Yuzuncu Yil Univ, Fen Edebiyat Fak, Van, Turkey; [Ugur, S.; Ugur, G.] Gazi Univ, Fen Edebiyat Fak, Ankara, Turkey en_US
dc.description Ugur, Sule/0000-0001-6710-8815; Ugur, Gokay/0000-0003-4764-4113; Soyalp, Fethi/0000-0002-4053-2189 en_US
dc.description.abstract A theoretical study of structural, electronic and dynamical properties of the ScAuSn is presented by using the density functional theory within the generalized gradient approximation (GGA). The lattice constant of this material is found to be 6.501 angstrom, which compares very well with the experimental value of 6.419 angstrom. We have carried out band structure and density of states calculations for ScAuSn. Then, a linear-response approach to the density-functional theory is used to derive the phonon frequencies and density of states. (c) 2007 Elsevier B.V. All rights reserved. en_US
dc.description.woscitationindex Science Citation Index Expanded
dc.identifier.doi 10.1016/j.commatsci.2007.03.007
dc.identifier.endpage 137 en_US
dc.identifier.issn 0927-0256
dc.identifier.issn 1879-0801
dc.identifier.issue 2 en_US
dc.identifier.scopus 2-s2.0-36048956859
dc.identifier.scopusquality Q2
dc.identifier.startpage 134 en_US
dc.identifier.uri https://doi.org/10.1016/j.commatsci.2007.03.007
dc.identifier.uri https://hdl.handle.net/20.500.14720/12535
dc.identifier.volume 41 en_US
dc.identifier.wos WOS:000251594100002
dc.identifier.wosquality Q3
dc.language.iso en en_US
dc.publisher Elsevier Science Bv en_US
dc.relation.publicationcategory Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı en_US
dc.rights info:eu-repo/semantics/closedAccess en_US
dc.subject Scausn en_US
dc.subject Electronic Band Structure en_US
dc.subject Phonon Dispersion en_US
dc.title First-Principles Investigation of Structural, Electronic and Dynamical Properties in Scausn Alloy en_US
dc.type Article en_US

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