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Vacancy Diffusion on Ge(111)-c(2x8)

Vacancy Diffusion on Ge(111)-c(2x8). Maksim Skorobogatiy, John Joannopoulos MIT, Physics. Ge(111)-c(2x8). Restatoms. Adadoms. Hybridization of MO. DFT++ calculations of Ge(111)-c(2x8). E cutoff = 12 Ry,  k-point 6 layers of Ge + 4 adatoms + termination by H N atoms = 100 Ge + 16 H

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Vacancy Diffusion on Ge(111)-c(2x8)

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  1. Vacancy Diffusion on Ge(111)-c(2x8) Maksim Skorobogatiy, John Joannopoulos MIT, Physics

  2. Ge(111)-c(2x8) Restatoms Adadoms

  3. Hybridization of MO

  4. DFT++ calculations of Ge(111)-c(2x8) E cutoff = 12 Ry,  k-point 6 layers of Ge + 4 adatoms + termination by H N atoms = 100 Ge + 16 H Z vacuum = 7.5 A

  5. UMO of Ge(111)-c(2x8)

  6. OMO of Ge(111)-c(2x8)

  7. Vacancies on Ge(111)-c(2x8) E barrier = 0.08 ev

  8. UMO for a Vacancy on Ge(111)-c(2x8)

  9. OMO for a Vacancy on Ge(111)-c(2x8)

  10. Diffusion of Vacancies on Ge(111)-c(2x8)

  11. Vacancy Diffusion Along (t L) Direction

  12. Vacancy Diffusion Along (t R) Direction

  13. Vacancy Diffusion Along (t) Direction

  14. Vacancy Diffusion Along (p) Direction

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