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Large-scale and gap error free calculations of the electronic structure ofvacancies in 4H-SiC have been carried out using a hybrid density functional(HSE06) and an accurate charge correction scheme. Based on the results thecarbon vacancy is proposed to be responsible for the Z1/2 and EH6/7 DLTScenters

Large-scale electronic structure calculations of vacancies in 4H-SiC using the Heyd-Scuseria-Ernzerhof screened hybrid density functional