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.

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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