Ab Initio Calculation of Physical Properties of Sodium Chloride
| dc.contributor.author | Dogan, Emel Kilit | |
| dc.contributor.author | Secuk, Nurullah | |
| dc.contributor.author | Erdinc, Bahattin | |
| dc.contributor.author | Soyalp, Fethi | |
| dc.contributor.author | Akkus, Harun | |
| dc.date.accessioned | 2025-05-10T17:45:26Z | |
| dc.date.available | 2025-05-10T17:45:26Z | |
| dc.date.issued | 2013 | |
| dc.department | T.C. Van Yüzüncü Yıl Üniversitesi | en_US |
| dc.department-temp | [Dogan, Emel Kilit; Secuk, Nurullah; Erdinc, Bahattin; Akkus, Harun] Yuzuncu Yil Univ, Fac Sci, Dept Phys, Van 65080, Turkey; [Soyalp, Fethi] Yuzuncu Yil Univ, Fac Educ, Dept Secondary Sci & Math Educ, Van 65080, Turkey | en_US |
| dc.description.abstract | We have calculated the structural, electronic, optical, dynamical, and thermodynamical properties of sodium chloride crystal using the density functional theory within the generalized gradient approximation. The calculated results for each physical property are presented and compared with available experimental data and previous theoretical data. There are controversial reports in the literature on the electronic band structure of sodium chloride. We especially present data and comments about this controversial subject. | en_US |
| dc.description.sponsorship | Unit of Scientific Research Projects of Yuzuncu Yil University [2011-FED-B010] | en_US |
| dc.description.sponsorship | This work has been supported by The Unit of Scientific Research Projects of Yuzuncu Yil University under project No. 2011-FED-B010. | en_US |
| dc.description.woscitationindex | Emerging Sources Citation Index | |
| dc.identifier.doi | 10.1166/mat.2013.1101 | |
| dc.identifier.endpage | 353 | en_US |
| dc.identifier.issn | 2169-429X | |
| dc.identifier.issn | 2169-4303 | |
| dc.identifier.issue | 5 | en_US |
| dc.identifier.scopusquality | N/A | |
| dc.identifier.startpage | 346 | en_US |
| dc.identifier.uri | https://doi.org/10.1166/mat.2013.1101 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.14720/16350 | |
| dc.identifier.volume | 2 | en_US |
| dc.identifier.wos | WOS:000214958200004 | |
| dc.identifier.wosquality | N/A | |
| dc.language.iso | en | en_US |
| dc.publisher | Amer Scientific Publishers | 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 | Sodium Chloride | en_US |
| dc.subject | Electronic Structure | en_US |
| dc.subject | Optical Properties | en_US |
| dc.title | Ab Initio Calculation of Physical Properties of Sodium Chloride | en_US |
| dc.type | Article | en_US |