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