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Donor-vacancy complexes in Ge: Cluster and supercell calculations

✍ Scribed by Coutinho, J.; Öberg, S.; Torres, V. J. B.; Barroso, M.; Jones, R.; Briddon, P. R.

Book ID
118263153
Publisher
The American Physical Society
Year
2006
Tongue
English
Weight
460 KB
Volume
73
Category
Article
ISSN
1098-0121

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Most density-functional studies of defects in semiconductors invariably use (i) a supercell that imitates the host crystal, as well as (ii) a local treatment of the exchange-correlation potential. The first approximation has had an enormous success in many materials, provided that the size of cell i