| dc.contributor.author | Durandurdu, M. | |
| dc.date.accessioned | 2019-11-24T20:37:41Z | |
| dc.date.available | 2019-11-24T20:37:41Z | |
| dc.date.issued | 2009 | |
| dc.identifier.issn | 0295-5075 | |
| dc.identifier.uri | https://dx.doi.org/10.1209/0295-5075/88/66001 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12513/2402 | |
| dc.description | WOS: 000273854100016 | en_US |
| dc.description.abstract | The stability of ZrO2 in the tensile regime is studied using an ab initio constant-pressure technique. A first-order phase transformation from the baddeleyite structure to an anatase-like structure (I4(1)/amd) is predicted through the constant-pressure simulation. A transformation mechanism at the atomistic level is discussed. Furthermore this phase transformation is studied from the energy-volume calculations. Copyright (C) EPLA, 2009 | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY | en_US |
| dc.relation.isversionof | 10.1209/0295-5075/88/66001 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.title | Expanded phase of ZrO2: An ab initio constant-pressure study | en_US |
| dc.type | article | en_US |
| dc.relation.journal | EPL | en_US |
| dc.contributor.department | Kırşehir Ahi Evran Üniversitesi, Fen-Edebiyat Fakültesi, Fizik Bölümü | en_US |
| dc.identifier.volume | 88 | en_US |
| dc.identifier.issue | 6 | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
