Formation and migration energy of native defects in silicon carbide from first principles: an overview

Roma, Guido, Bruneval, Fabien, Liao, Ting, Martínez, Olga Natalia Bedoya and Crocombette, Jean-Paul (2012). Formation and migration energy of native defects in silicon carbide from first principles: an overview. In: I. Bezverkhyy, S. Chevalier and O. Politano, Diffusion in Materials: Selected, Peer Reviewed Papers from the International Conference on Diffusion in Materials (DIMAT2011). DIMAT 2011: 8th International Conference on Diffusion in Materials, Dijon, France, (11-18). 3-8 July, 2011. doi:10.4028/www.scientific.net/DDF.323-325.11


Author Roma, Guido
Bruneval, Fabien
Liao, Ting
Martínez, Olga Natalia Bedoya
Crocombette, Jean-Paul
Title of paper Formation and migration energy of native defects in silicon carbide from first principles: an overview
Conference name DIMAT 2011: 8th International Conference on Diffusion in Materials
Conference location Dijon, France
Conference dates 3-8 July, 2011
Proceedings title Diffusion in Materials: Selected, Peer Reviewed Papers from the International Conference on Diffusion in Materials (DIMAT2011)   Check publisher's open access policy
Journal name Defect and Diffusion Forum   Check publisher's open access policy
Place of Publication Uetikon-Zurich, Switzerland
Publisher Scitec Publications
Publication Year 2012
Sub-type Fully published paper
DOI 10.4028/www.scientific.net/DDF.323-325.11
ISBN 9783037853979
9783038137030
ISSN 1012-0386
Editor I. Bezverkhyy
S. Chevalier
O. Politano
Volume 323-325
Start page 11
End page 18
Total pages 8
Language eng
Formatted Abstract/Summary
We present here an overview of native point defects calculations in silicon carbide using Density Functional Theory, focusing on defects energetics needed to understand self-diffusion. The goal is to assess the availability of data that are necessary in order to perform kinetic calculations to predict not only diffusion properties but also the evolution of defect populations under or after irradiation. We will discuss the spread of available data, comment on the main defect reactions that should be taken into account, and mention some of the most recent promising developments.
Subjects 2500 Materials Science
3104 Condensed Matter Physics
3108 Radiation
Keyword Defects
Silicon carbide
Ab-initio
Density Functional Theory
Kinetics
Irradiation effects
Diffusion
Q-Index Code E1
Q-Index Status Provisional Code
Institutional Status UQ

 
Versions
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 4 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 4 times in Scopus Article | Citations
Google Scholar Search Google Scholar
Created: Thu, 28 Nov 2013, 14:46:47 EST by System User on behalf of Aust Institute for Bioengineering & Nanotechnology