An ab initio constant pressure study of pressure induced phase transition of MgSe
Yazarlar (2)
Prof. Dr. Mustafa ÖZDURAN Kırşehir Ahi Evran Üniversitesi, Türkiye
Murat Durandurdu Abdullah Gül Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | EPL (Europhysics Letters) | ||
| Dergi ISSN | 0295-5075 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2008 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | – |
| Cilt / Sayı / Sayfa | 84 / 5 / 56001–0 | DOI | 10.1209/0295-5075/84/56001 |
| Makale Linki | http://stacks.iop.org/0295-5075/84/i=5/a=56001?key=crossref.61c48d8bb7836a905e91d30f0e4baec9 | ||
| Özet |
| We study the pressure-induced phase transition of MgSe using a constant-pressure ab initio technique and find that the rocksalt-structured MgSe transforms into a FeSi-type structure. Furthermore, we find that this phase transformation is based on a cubic intermediate state with space group of F4̄3m. The rocksalt-to-FeSi–type phase transition is also studied using total-energy calculations. Our transition pressure and bulk properties are in good agreement with the available experimental and theoretical results. |
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BM Sürdürülebilir Kalkınma Amaçları
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| Google Scholar | 4 |
| Web of Science | 4 |