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

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

• Maksim Skorobogatiy, John Joannopoulos
• MIT, Physics

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Ge(111)-c(2x8)
Restatoms
Adadoms
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Hybridization of MO
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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
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UMO of Ge(111)-c(2x8)
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OMO of Ge(111)-c(2x8)
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Vacancies on Ge(111)-c(2x8)
E barrier 0.08 ev
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UMO for a Vacancy on Ge(111)-c(2x8)
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OMO for a Vacancy on Ge(111)-c(2x8)
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Diffusion of Vacancies on Ge(111)-c(2x8)
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Vacancy Diffusion Along (t L) Direction
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Vacancy Diffusion Along (t R) Direction
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Vacancy Diffusion Along (t) Direction
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Vacancy Diffusion Along (p) Direction