Novel High-Pressure Phase of ZrO2: An ab initio Prediction
| dc.contributor.author | Durandurdu, Murat | |
| dc.date.accessioned | 2025-09-25T10:53:21Z | |
| dc.date.available | 2025-09-25T10:53:21Z | |
| dc.date.issued | 2015 | |
| dc.description | Durandurdu, Murat/0000-0001-5636-3183 | en_US |
| 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 P6(3)/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. (C) 2015 Elsevier Inc. All rights reserved. | en_US |
| dc.description.sponsorship | Abdullah Gul University Support Foundation | en_US |
| dc.description.sponsorship | The author is thankful to Prof. Haruhiko Dekura for brining his attention the recently published paper (Ref. [24]) and unpublished data (Ref. [35]) during the review process of this paper. This work was supported by the Abdullah Gul University Support Foundation. | en_US |
| dc.identifier.doi | 10.1016/j.jssc.2015.07.010 | |
| dc.identifier.issn | 0022-4596 | |
| dc.identifier.issn | 1095-726X | |
| dc.identifier.scopus | 2-s2.0-84937207687 | |
| dc.identifier.uri | https://doi.org/10.1016/j.jssc.2015.07.010 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12573/4293 | |
| dc.language.iso | en | en_US |
| dc.publisher | Academic Press inc Elsevier Science | en_US |
| dc.relation.ispartof | Journal of Solid State Chemistry | 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 |
| dspace.entity.type | Publication | |
| gdc.author.id | Durandurdu, Murat/0000-0001-5636-3183 | |
| gdc.author.institutional | Durandurdu, Murat | |
| gdc.author.scopusid | 12244741000 | |
| gdc.author.wosid | Durandurdu, Murat/Abi-4068-2020 | |
| gdc.bip.impulseclass | C5 | |
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| gdc.coar.access | metadata only access | |
| gdc.coar.type | text::journal::journal article | |
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| gdc.description.department | Abdullah Gül University | en_US |
| gdc.description.departmenttemp | Abdullah Gul Univ, Dept Mat Sci & Nanotechnol Engn, TR-38080 Kayseri, Turkey | en_US |
| gdc.description.endpage | 236 | en_US |
| gdc.description.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| gdc.description.scopusquality | Q2 | |
| gdc.description.startpage | 233 | en_US |
| gdc.description.volume | 230 | en_US |
| gdc.description.woscitationindex | Science Citation Index Expanded | |
| gdc.description.wosquality | Q1 | |
| gdc.identifier.openalex | W781953737 | |
| gdc.identifier.wos | WOS:000360516600034 | |
| gdc.index.type | WoS | |
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| gdc.oaire.sciencefields | 0103 physical sciences | |
| gdc.oaire.sciencefields | 02 engineering and technology | |
| gdc.oaire.sciencefields | 0210 nano-technology | |
| gdc.oaire.sciencefields | 01 natural sciences | |
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| gdc.opencitations.count | 10 | |
| gdc.plumx.crossrefcites | 11 | |
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| gdc.virtual.author | Durandurdu, Murat | |
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