Configurational order-disorder induced metal-nonmetal transition in B13C2 studied with first-principles superatom-special quasirandom structure method

@article{Ektarawong2015ConfigurationalOI,
  title={Configurational order-disorder induced metal-nonmetal transition in B13C2 studied with first-principles 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},
  year={2015},
  volume={92},
  pages={014202}
}
Due to a large discrepancy between theory and experiment, the electronic character of crystalline boron carbide B13C2 has been a controversial topic in the field of icosahedral boron-rich solids. W ... 
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