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

2011/05/16 by T. Hornos, Hornos, Tamas, Ádám Gali +3
Engineering · Materials Science · #Copper Interconnects and Reliability #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Semiconductor materials and devices #Silicon Carbide Semiconductor Technologies

paper · pdf · doi:10.48550/arxiv.1105.3079

openalex publication_date 2011/05/16 · openalex created_date 2022/10/04 · openalex updated_date 2026/07/28

Abstract

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

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