First-principles study of the dynamic Jahn-Teller distortion of the neutral vacancy in diamond
First-principles density functional theory methods are used to investigate the structure, energetics, and vibrational motions of the neutral vacancy defect in diamond. The measured optical absorption spectrum demonstrates that the tetrahedral Td point group symmetry of pristine diamond is maintained...
| Main Authors: | , , |
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| 格式: | Journal article |
| 语言: | English |
| 出版: |
American Physical Society
2017
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