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

Abstract:

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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 et al., "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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Price:

$35.00

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