| dc.contributor.author | Durandurdu, Murat | |
| dc.date.accessioned | 2019-11-24T20:37:42Z | |
| dc.date.available | 2019-11-24T20:37:42Z | |
| dc.date.issued | 2009 | |
| dc.identifier.issn | 0953-8984 | |
| dc.identifier.uri | https://dx.doi.org/10.1088/0953-8984/21/45/452204 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12513/2405 | |
| dc.description | WOS: 000271090200004 | en_US |
| dc.description | PubMed ID: 21694004 | en_US |
| dc.description.abstract | The stability of the zinc-blende structured MgS is studied using a constant pressure ab initio molecular dynamics technique. A phase transition into a rocksalt structure is observed through the simulation. The zinc-blende to rocksalt phase transformation proceeds via two rhombohedral intermediate phases within R3m ( No: 160) and R3m ( No: 166) symmetries and does not involve any bond breaking. This mechanism is different from the previously observed mechanism in molecular dynamics simulations. | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | IOP PUBLISHING LTD | en_US |
| dc.relation.isversionof | 10.1088/0953-8984/21/45/452204 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.title | New transformation mechanism for a zinc-blende to rocksalt phase transformation in MgS | en_US |
| dc.type | article | en_US |
| dc.relation.journal | JOURNAL OF PHYSICS-CONDENSED MATTER | en_US |
| dc.contributor.department | Kırşehir Ahi Evran Üniversitesi, Fen-Edebiyat Fakültesi, Fizik Bölümü | en_US |
| dc.identifier.volume | 21 | en_US |
| dc.identifier.issue | 45 | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
