Theoretical strength and cleavage of diamond

被引:278
作者
Telling, RH [1 ]
Pickard, CJ [1 ]
Payne, MC [1 ]
Field, JE [1 ]
机构
[1] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England
关键词
D O I
10.1103/PhysRevLett.84.5160
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The theoretical strength of diamond has been calculated for the [100], [110], and [111] directions using a first principles approach and is found to be strongly dependent on crystallographic direction. This elastic anisotropy, found at large strains, and particularly the pronounced minimum in cohesion in the {111} direction, is believed to be the reason for the remarkable dominance of the {111} cleavage plane when diamond is fractured. The extra energy required to cleave a crystal on planes other than {111} is discussed with reference to simple surface energy calculations and also the introduction of bond-bending terms.
引用
收藏
页码:5160 / 5163
页数:4
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