Isolated oxygen defects in (formula presented)- and (formula presented)-SiC: A theoretical study

A. Gali, D. Heringer, P. Deák, Z. Hajnal, Th Frauenheim, R. P. Devaty, W. J. Choyke

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Ab initio calculations in the local-density approximation have been carried out in SiC to determine the possible configurations of the isolated oxygen impurity. Equilibrium geometry and occupation levels were calculated. Substitutional oxygen in (formula presented)-SiC is a relatively shallow effective mass like double donor on the carbon site (formula presented) and a hyperdeep double donor on the Si site (formula presented) In (formula presented) or interstitial oxygen (formula presented) In (formula presented) is also the most stable one except for heavy n-type doping. We propose that (formula presented) is at the core of the electrically active oxygen-related defect family found by deep level transient spectroscopy in (formula presented) interface are discussed.

Original languageEnglish
Pages (from-to)1-7
Number of pages7
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume66
Issue number12
DOIs
Publication statusPublished - Jan 1 2002

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Oxygen
Defects
defects
oxygen
Local density approximation
Deep level transient spectroscopy
Reactive Oxygen Species
Carbon
Doping (additives)
Impurities
Geometry
occupation
interstitials
impurities
carbon
geometry
configurations
approximation
spectroscopy

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Isolated oxygen defects in (formula presented)- and (formula presented)-SiC : A theoretical study. / Gali, A.; Heringer, D.; Deák, P.; Hajnal, Z.; Frauenheim, Th; Devaty, R. P.; Choyke, W. J.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 66, No. 12, 01.01.2002, p. 1-7.

Research output: Contribution to journalArticle

Gali, A. ; Heringer, D. ; Deák, P. ; Hajnal, Z. ; Frauenheim, Th ; Devaty, R. P. ; Choyke, W. J. / Isolated oxygen defects in (formula presented)- and (formula presented)-SiC : A theoretical study. In: Physical Review B - Condensed Matter and Materials Physics. 2002 ; Vol. 66, No. 12. pp. 1-7.
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