Large-Scale Electronic Structure Calculations of Vacancies in 4H-SiC Using the Heyd-Scuseria-Ernzerhof Screened Hybrid Density Functional-Reference-Cited by-同舟云学术

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

Published:2011-03 Issue: Volume:679-680 Page:261-264
ISSN:1662-9752
Container-title:Materials Science Forum
language:
Short-container-title:MSF

Author:

Hornos Tamas¹,Gali Adam²,Svensson Bengt Gunnar¹

Affiliation:

1. University of Oslo

2. Hungarian Academy of Sciences

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.

Publisher

Trans Tech Publications, Ltd.

Subject

Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science

Link

https://www.scientific.net/MSF.679-680.261.pdf

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