First-principles study of configurational disorder in B4C using a superatom-special quasirandom structure method

  title={First-principles study of configurational disorder in B4C using a superatom-special quasirandom structure method},
  author={Annop Ektarawong and S. I. Simak and Lars Hultman and Jens Birch and Bj{\"o}rn Alling},
  journal={Physical Review B},
Configurationally disordered crystalline boron carbide, with the composition B4C, is studied using first-principles calculations. We investigate both dilute and high concentrations of carbon-boron ... 

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