کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1816707 1525270 2006 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Instability of graphite structure induced by excited holes
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Instability of graphite structure induced by excited holes
چکیده انگلیسی

We are proposing a brand new method to synthesize diamond via electronically excited states. An ab initio pseudopotential total-energy calculation has been carried out in order to investigate the stability of the graphite structure under hole dopings (substitutional B, Be or intercalated F). As a result, the graphite is unstabilized by doping holes. The activation energy for the conversion from the graphite to the diamond dramatically decreases, which will result in drastic decrease of the transition pressures and temperatures. On the other hand, the local lattice relaxation around the acceptor atom may adversely affect the whole lattice changes in the diamond structure.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volumes 376–377, 1 April 2006, Pages 296–299
نویسندگان
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