Open AccessFirst principles study of the uniaxial compressive strength of bct-C4 carbon allotrope
Author(s) -
Qingkun Li,
Yi Sun,
Zhenhong Yu,
Zeng Fan-Lin
Publication year - 2012
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.61.093104
Subject(s) - compressive strength , materials science , diamond , carbon fibers , work (physics) , composite material , composite number , thermodynamics , physics
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.