Physical and chemical properties of a Ga-doped ZnO crystal
First-principles calculations based on density functional theory and strengthened by Hartree-Fock computations have been performed to study a Ga-doped wurtzite-type ZnO crystal. The large 108-atom supercell used throughout this work allows one to model a single point defect within the periodic super...
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| Other Authors: | , |
| Format: | article |
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2011
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| Online Access: | http://dspace.utpl.edu.ec/handle/123456789/19317 |
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