Effective-medium tight-binding model for silicon.

  title={Effective-medium tight-binding model for silicon.},
  author={Stokbro and Chetty and Jacobsen and Norskov},
  journal={Physical review. B, Condensed matter},
  volume={50 15},
  • Stokbro, Chetty, +1 author Norskov
  • Published 9 May 1994
  • Physics, Medicine
  • Physical review. B, Condensed matter
A method for calculating the total energy of Si systems, which is based on the effective-medium-theory concept of a reference system, is presented. Instead of calculating the energy of an atom in the system of interest, a reference system is introduced where the local surroundings are similar. The energy of the reference system can be calculated self-consistently once and for all while the energy difference to the reference system can be obtained approximately. We propose to calculate it using… 
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