کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1594823 | 1515658 | 2010 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Formation of a Cmcm phase in SnS at high pressure; an ab initio constant pressure study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
The stability of SnS at high pressure is studied using a constant pressure ab initio technique. For the first time, a pressure-induced phase transformation from the Pnma structure to a Cmcm structure with the application of pressure is predicted through the simulations in this material. The Cmcm phase is still a layered structure, consisting of rocksalt-like bilayers, similar to that formed at high temperatures. The Cmcm structure is fivefold coordinated. This phase transformation gradually proceeds and is due to the significant decrease of the second neighbor distances. This phase change is also studied by total energy calculations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 150, Issues 17â18, May 2010, Pages 870-874
Journal: Solid State Communications - Volume 150, Issues 17â18, May 2010, Pages 870-874
نویسندگان
Sebahaddin Alptekin, Murat Durandurdu,