Surface and Core Electronic Structure of Oxidized Silicon Nanocrystals
Ab initio restricted Hartree-Fock method within the framework of large unit cell formalism is used to simulate silicon nanocrystals between 216 and 1000 atoms (1.6–2.65 nm in diameter) that include Bravais and primitive cell multiples. The investigated properties include core and oxidized surface pr...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2010-01-01
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| Series: | Journal of Nanomaterials |
| Online Access: | http://dx.doi.org/10.1155/2010/952172 |