Vacancies in a-Si:
We study vacancies in amorphous silicon
using a tight-binding molecular-dynamics method.
The physical properties of vacancies in amorphous silicon such as
electronic density of states and volume change of the vacancy
are investigated. Bond angle deviations, charge density
of adjacent atoms near the vacancy, and their correlations are also discussed.
Similarities and differences from vacancy in crystalline silicon
will be discussed in detail.
We further study the dynamics of vacancies in amorphous silicon.
No migration is observed at room temperature and even at 450K, although
vacancies with higher density can be
annihilated even at room temperature. Divacancy in amorphous Si
will be further discussed.
E. Kim et al.,
"Vacancies in amorphous silicon: A tight-binding molecular-dynamics simulation ",
Phys. Rev. B. 59, 2713 (1999).
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Eunja Kim, University of Nevada Las Vegas