Electronic properties of random alloys: Special quasirandom structures.

@article{Wei1990ElectronicPO,
  title={Electronic properties of random alloys: Special quasirandom structures.},
  author={Suhuai Wei and Luiz G. Ferreira and James Edward Bernard and Alex Zunger},
  journal={Physical review. B, Condensed matter},
  year={1990},
  volume={42 15},
  pages={
          9622-9649
        }
}
Structural models needed in calculations of properties of substitutionally random A ] B alloys are usually constructed by randomly occupying each of the X sites of a periodic cell by 3 or B. We show that it is possible to design "special quasirandom structures" (SQS's) that mimic for small N (even %=8) the first few, physically most relevant radial correlation functions of an infinite, perfectly random structure far better than the standard technique does. These SQS's are shown to be short… CONTINUE READING

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