Theoretical Design of a Shallow Donor in Diamond by Lithium-Nitrogen Codoping
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
| Publié: |
2012
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| _version_ | 1866916991076401152 |
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| author | Moussa, Jonathan E. Marom, Noa Sai, Na Chelikowsky, James R. |
| author_facet | Moussa, Jonathan E. Marom, Noa Sai, Na Chelikowsky, James R. |
| contents | We propose a new substitutional impurity complex in diamond composed of a lithium atom that is tetrahedrally coordinated by four nitrogen atoms (LiN_4). Density functional calculations are consistent with the hydrogenic impurity model, both supporting the prediction that this complex is a shallow donor with an activation energy of 0.27 +/- 0.06 eV. Three paths to the experimental realization of the LiN_4 complex in diamond are proposed and theoretically analyzed. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_1205_2165 |
| institution | arXiv |
| publishDate | 2012 |
| record_format | arxiv |
| spellingShingle | Theoretical Design of a Shallow Donor in Diamond by Lithium-Nitrogen Codoping Moussa, Jonathan E. Marom, Noa Sai, Na Chelikowsky, James R. Materials Science We propose a new substitutional impurity complex in diamond composed of a lithium atom that is tetrahedrally coordinated by four nitrogen atoms (LiN_4). Density functional calculations are consistent with the hydrogenic impurity model, both supporting the prediction that this complex is a shallow donor with an activation energy of 0.27 +/- 0.06 eV. Three paths to the experimental realization of the LiN_4 complex in diamond are proposed and theoretically analyzed. |
| title | Theoretical Design of a Shallow Donor in Diamond by Lithium-Nitrogen Codoping |
| topic | Materials Science |
| url | https://arxiv.org/abs/1205.2165 |