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

Tamás Hornos, Ádám Gali, Bengt G. Svensson

Research output: Conference contribution

69 Citations (Scopus)

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 EH 6/7 DLTS centers.

Original languageEnglish
Title of host publicationSilicon Carbide and Related Materials 2010
Pages261-264
Number of pages4
DOIs
Publication statusPublished - ápr. 28 2011
Event8th European Conference on Silicon Carbide and Related Materials, ECSCRM 2010 - Oslo, Norway
Duration: aug. 29 2010szept. 2 2010

Publication series

NameMaterials Science Forum
Volume679-680
ISSN (Print)0255-5476

Other

Other8th European Conference on Silicon Carbide and Related Materials, ECSCRM 2010
CountryNorway
CityOslo
Period8/29/109/2/10

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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    Hornos, T., Gali, Á., & Svensson, B. G. (2011). Large-scale electronic structure calculations of vacancies in 4H-SiC using the Heyd-Scuseria-Ernzerhof screened hybrid density functional. In Silicon Carbide and Related Materials 2010 (pp. 261-264). (Materials Science Forum; Vol. 679-680). https://doi.org/10.4028/www.scientific.net/MSF.679-680.261