Paper Title:
Large-Scale Electronic Structure Calculations of Vacancies in 4H-SiC Using the Heyd-Scuseria-Ernzerhof Screened Hybrid Density Functional
  Abstract

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

  Info
Periodical
Materials Science Forum (Volumes 679-680)
Edited by
Edouard V. Monakhov, Tamás Hornos and Bengt. G. Svensson
Pages
261-264
DOI
10.4028/www.scientific.net/MSF.679-680.261
Citation
T. Hornos, A. Gali, B. G. Svensson, "Large-Scale Electronic Structure Calculations of Vacancies in 4H-SiC Using the Heyd-Scuseria-Ernzerhof Screened Hybrid Density Functional", Materials Science Forum, Vols. 679-680, pp. 261-264, 2011
Online since
March 2011
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