First-principles study of cubic BC6N: Structural forms and ideal strength

ORAL

Abstract

We present first-principles calculations on the structural forms and ideal strength of cubic BC6N. The calculated ideal tensile and shear strength are lower or comparable to those of c-BN. Our results show that increasing carbon content does not lead to significant enhancement of the idea strength as expected by the conventional wisdom. It can be attributed to the weak C-N bonds that impose a limit on the idea strength.

–

Authors

  • Yi Zhang

    Department of Physics, University of Nevada, Las Vegas

  • Hong Sun

    Department of Physics, Shanghai Jiao Tong University, China

  • Changfeng Chen

    Department of Physics, University of Nevada, Las Vegas, Department of Physics, University of Nevada, Las Vegas, NV 89154-4002, USA