Bilayer sliding mechanism for the zincblende to rocksalt transition in SiC

ORAL

Abstract

We have theoretically investigated the mechanism of the pressure-induced reconstructive zincblende-to-rocksalt phase transition in SiC. Starting with an extensive survey of 925 possible transition pathways, we found that those with the lowest enthalpy barriers all have a common mechanism: bilayer sliding of (111) planes.

Authors

  • H.T. Stokes

  • D.M. Hatch

    Brigham Young University

  • Jianjun Dong

    Auburn University

  • J. Gunter

  • Hao Wang

    Brigham Young University

  • James Lewis

    Brigham Young University