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...

Täydet tiedot

Bibliografiset tiedot
Päätekijät: Prentice, JCA, Monserrat, B, Needs, RJ
Aineistotyyppi: Journal article
Kieli:English
Julkaistu: American Physical Society 2017