Paper Title:
The Search for Near Interface Oxide Traps - First-Principles Calculations on Intrinsic SiO2 Defects
  Abstract

The density of interface traps (Dit) in thermally oxidized SiC is unacceptably high for MOS device fabrication. The most severe problem is posed by the extremely high concentration of slow acceptor states near the conduction band edge of 4H-SiC. These states are attributed to near interface traps originating from (probably intrinsic) defects in the oxide. Here a systematic theoretical search is presented for possible defects in the oxide with an appropriate acceptor level. Supercell calculations using a hybrid functional approach (and resulting in a correct gap) on defects in alpha-quartz exclude the oxygen vacancy and the oxygen interstitial, as possible candidates. In contrast, these calculations predict interstitial silicon to have an acceptor level in the appropriate range. The carbon interstitial in silica has an acceptor level somewhat deeper than that. Occupation of these levels give rise to significant rearrangement of the environment, leading to a more extended defect structure.

  Info
Periodical
Materials Science Forum (Volumes 483-485)
Edited by
Roberta Nipoti, Antonella Poggi and Andrea Scorzoni
Pages
569-572
DOI
10.4028/www.scientific.net/MSF.483-485.569
Citation
J.M. Knaup, P. Deák, A. Gali, Z. Hajnal, T. Frauenheim, W. J. Choyke, "The Search for Near Interface Oxide Traps - First-Principles Calculations on Intrinsic SiO2 Defects", Materials Science Forum, Vols. 483-485, pp. 569-572, 2005
Online since
May 2005
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$32.00
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