Theoretical Study of Rhombohedral Nacaf3 Crystal in the Predicted Ferroelectric Phase
| dc.authorid | Aycibin, Murat/0000-0002-2634-3082 | |
| dc.authorscopusid | 26654044300 | |
| dc.authorscopusid | 16318466500 | |
| dc.authorscopusid | 55921695800 | |
| dc.authorscopusid | 55428241100 | |
| dc.authorscopusid | 56512407500 | |
| dc.authorscopusid | 55921648100 | |
| dc.authorwosid | Aycibin, Murat/S-6335-2019 | |
| dc.contributor.author | Erdinc, B. | |
| dc.contributor.author | Aycibin, M. | |
| dc.contributor.author | Secuk, M. N. | |
| dc.contributor.author | Gulebaglan, S. E. | |
| dc.contributor.author | Dogan, E. K. | |
| dc.contributor.author | Akkus, H. | |
| dc.date.accessioned | 2025-05-10T17:59:20Z | |
| dc.date.available | 2025-05-10T17:59:20Z | |
| dc.date.issued | 2014 | |
| dc.department | T.C. Van Yüzüncü Yıl Üniversitesi | en_US |
| dc.department-temp | [Erdinc, B.; Aycibin, M.; Secuk, M. N.; Gulebaglan, S. E.; Dogan, E. K.; Akkus, H.] Yuzuncu Yil Univ, Fac Sci, Dept Phys, TR-65080 Van, Turkey | en_US |
| dc.description | Aycibin, Murat/0000-0002-2634-3082 | en_US |
| dc.description.abstract | The calculated results for structural optimization, electronic band structure, total density of states and optical properties of a rhombohedral NaCaF3 compound were discussed using generalized gradient approximation under the density functional theory. According to our calculation, NaCaF3 crystal has a direct band transition. Moreover, optical properties of NaCaF3 were investigated using scissor approximation. This is the first theoretical study of rhombohedral crystal structure of NaCaF3 as far as we know. | en_US |
| dc.description.woscitationindex | Emerging Sources Citation Index | |
| dc.identifier.endpage | 1097 | en_US |
| dc.identifier.issn | 2147-1762 | |
| dc.identifier.issue | 4 | en_US |
| dc.identifier.scopus | 2-s2.0-84911892326 | |
| dc.identifier.scopusquality | Q3 | |
| dc.identifier.startpage | 1093 | en_US |
| dc.identifier.uri | https://hdl.handle.net/20.500.14720/20502 | |
| dc.identifier.volume | 27 | en_US |
| dc.identifier.wos | WOS:000421177200009 | |
| dc.identifier.wosquality | N/A | |
| dc.language.iso | en | en_US |
| dc.publisher | Gazi Univ | en_US |
| dc.relation.ispartof | Gazi University Journal of Science | 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 | Density Functional Theory | en_US |
| dc.subject | Electronic Band Structure | en_US |
| dc.subject | Optical Properties | en_US |
| dc.title | Theoretical Study of Rhombohedral Nacaf3 Crystal in the Predicted Ferroelectric Phase | en_US |
| dc.type | Article | en_US |