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
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
Formation of a Cmcm phase in SnS at high pressure; an ab initio constant pressure study
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 17–18, May 2010, Pages 870-874
نویسندگان
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