First-Principles Investigation of Structural, Electronic and Dynamical Properties in Scausn Alloy
| 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.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.identifier.doi | 10.1016/j.commatsci.2007.03.007 | |
| dc.identifier.issn | 0927-0256 | |
| dc.identifier.issn | 1879-0801 | |
| dc.identifier.scopus | 2-s2.0-36048956859 | |
| 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.language.iso | en | en_US |
| dc.publisher | Elsevier Science Bv | 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 |
| dspace.entity.type | Publication | |
| gdc.author.id | Ugur, Sule/0000-0001-6710-8815 | |
| gdc.author.id | Ugur, Gokay/0000-0003-4764-4113 | |
| gdc.author.id | Soyalp, Fethi/0000-0002-4053-2189 | |
| gdc.author.scopusid | 8952053200 | |
| gdc.author.scopusid | 7004261573 | |
| gdc.author.scopusid | 55908046100 | |
| gdc.author.wosid | Ugur, Sule/B-6230-2016 | |
| gdc.author.wosid | Ugur, Gokay/B-6223-2016 | |
| gdc.coar.access | metadata only access | |
| gdc.coar.type | text::journal::journal article | |
| gdc.description.department | T.C. Van Yüzüncü Yıl Üniversitesi | en_US |
| gdc.description.departmenttemp | [Soyalp, F.] Yuzuncu Yil Univ, Fen Edebiyat Fak, Van, Turkey; [Ugur, S.; Ugur, G.] Gazi Univ, Fen Edebiyat Fak, Ankara, Turkey | en_US |
| gdc.description.endpage | 137 | en_US |
| gdc.description.issue | 2 | en_US |
| gdc.description.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| gdc.description.scopusquality | Q2 | |
| gdc.description.startpage | 134 | en_US |
| gdc.description.volume | 41 | en_US |
| gdc.description.woscitationindex | Science Citation Index Expanded | |
| gdc.description.wosquality | Q3 | |
| gdc.identifier.wos | WOS:000251594100002 | |
| gdc.index.type | WoS | |
| gdc.index.type | Scopus |