| dc.contributor.author | Durandurdu, Murat | |
| dc.date.accessioned | 2023-04-05T06:40:08Z | |
| dc.date.available | 2023-04-05T06:40:08Z | |
| dc.date.issued | 2015 | en_US |
| dc.identifier.issn | 0022-4596 | |
| dc.identifier.issn | 1095-726X | |
| dc.identifier.other | WOS:000360516600034 | |
| dc.identifier.uri | http://dx.doi.org/10.1016/j.jssc.2015.07.010 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12573/1558 | |
| dc.description.abstract | The high-pressure behavior of the orthorhombic cotunnite type ZrO2 is explored using an ab initio
constant pressure technique. For the first time, a novel hexagonal phase (Ni2In type) within P63/mmc
symmetry is predicted through the simulation. The Ni2In type crystal is the densest high-pressure phase
of ZrO2 proposed so far and has not been observed in other metal dioxides at high pressure before. The
phase transformation is accompanied by a small volume drop and likely to occur around 380 GPa in
experiment. | en_US |
| dc.description.sponsorship | Abdullah Gul University | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | ACADEMIC PRESS INC ELSEVIER SCIENCE | en_US |
| dc.relation.isversionof | 10.1016/j.jssc.2015.07.010 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Zirconia | en_US |
| dc.subject | Post-cotunnite | en_US |
| dc.subject | Ceramic | en_US |
| dc.title | Novel high-pressure phase of ZrO2: An ab initio prediction | en_US |
| dc.type | article | en_US |
| dc.contributor.department | AGÜ, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü | en_US |
| dc.contributor.authorID | 0000-0001-5636-3183 | en_US |
| dc.contributor.institutionauthor | Durandurdu, Murat | |
| dc.identifier.volume | 230 | en_US |
| dc.identifier.startpage | 233 | en_US |
| dc.identifier.endpage | 236 | en_US |
| dc.relation.journal | JOURNAL OF SOLID STATE CHEMISTRY | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
