%0 Journal Article %T First principles study of the uniaxial compressive strength of bct-C4 carbon allotrope
第一性原理研究bct-C4碳材料的强度性质 %A Li Qing-Kun %A Sun Yi %A Zhou Yu %A Zeng Fan-Lin %A
李青坤 %A 孙毅 %A 周玉 %A 曾凡林 %J 物理学报 %D 2012 %I %X bct-C4 carbon allotrope has been attracted great interest because its excellent mechanical properties. In this paper, we study the elastic properties and the strength properties of bct-C4 carbon by first-principles method. Our results show that bct-C4 presents a super uniaxial compressive strength of 524.3GPa, which is 6.9% more than the corresponding value of diamond. The high compressive strength originates from the high compressive rate of chemical bond deviating from compressive direction. Our work suggests that bct --C4 carbon can be widely used in the area of high pressure research. %K first-principles %K mechanical properties %K bct-C4 carbon
第一性原理 %K 力学性质 %K bct-C4碳 %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=78F360FC29C479118E652741D7B65E76&yid=99E9153A83D4CB11&vid=1D0FA33DA02ABACD&iid=9CF7A0430CBB2DFD&sid=25F3C7389C3A2F34&eid=6F6BFE67B8305F54&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=20