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An ab initio constant pressure study of pressure induced phase transition of MgSe       
Yazarlar
Doç. Dr. Mustafa ÖZDURAN Doç. Dr. Mustafa ÖZDURAN
Ahi Evran Üniversitesi, Türkiye
Murat Durandurdu
Abdullah Gül Üniversitesi, Türkiye
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 F (4) over bar 3m. 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. Copyright (C) EPLA, 2008
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı EPL
Dergi ISSN 0295-5075
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 12-2008
Cilt No 84
Sayı 5
Sayfalar 56001 / 0
Doi Numarası 10.1209/0295-5075/84/56001
Makale Linki http://stacks.iop.org/0295-5075/84/i=5/a=56001?key=crossref.61c48d8bb7836a905e91d30f0e4baec9