کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1592649 1002668 2012 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
New superhard carbon phases between graphite and diamond
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
New superhard carbon phases between graphite and diamond
چکیده انگلیسی

Two new carbon allotropes (H-carbon and S-carbon) are proposed, as possible candidates for the intermediate superhard phases between graphite and diamond obtained in the process of cold compressing graphite, based on the results of first-principles calculations. Both H-carbon and S-carbon are more stable than previously proposed M-carbon and W-carbon and their bulk modulus are comparable to that of diamond. H-carbon is an indirect-band-gap semiconductor with a gap of 4.459 eV and S-carbon is a direct-band-gap semiconductor with a gap of 4.343 eV. The transition pressure from cold compressing graphite is 10.08 GPa and 5.93 GPa for H-carbon and S-carbon, respectively, which is in consistent with the recent experimental report.


► Two new carbon phases are proposed with remarkable stability.
► They can be obtained by cold compressing AB-stacking graphite.
► They are transparent superhard materials comparable to diamond.
► Our discussion is significant for understanding phase transition in graphite.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 152, Issue 16, August 2012, Pages 1560–1563
نویسندگان
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