Physical Review Letters
– 15 April 2005
Volume 94, Issue 14
Electronic charge density of cubic BC2N in several crystallographic planes (horizontal rows) at equilibrium (left column) and under large tensile strains (middle and right columns). A sequential bond-breaking pattern is seen in this simulation which can explain the large disparity between the shear and the tensile strengths of this superhard solid.
[Yi Zhang, Hong Sun, and Changfeng Chen, Phys. Rev. Lett. 94, 145505 (2005)]
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