Total-energy and electronic-structure calculations are performed within density-functional theory in the local-density approximation for charged C and Si vacancies in cubic SiC. We find a pronounced Jahn-Teller distortion with a symmetry lowering for neutral and negatively charged C vacancies. Consequently, from the total energies as well as from the order of the vacancy levels (+/++) and (0/+) we derive a negative- U behaviour for the carbon vacancy. The formation energies are studied vs. composition and sample doping.
No takes yet. Share an insight, caveat, or question.
Bechstedt et al. (1998) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: