Electronic structure calculations of defects in diamond for quantum computing : A study of the addition of dopants in the diamond structure
When doing computations on the negatively (positively) charged NV-center in diamond, the common procedure is to add (subtract) an electron from the system. However, when using periodic boundary conditions, this addition/subtraction of an electron from the supercell would result in a divergent electr...
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| Format: | Others |
| Language: | English |
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Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik
2019
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-74268 |