The Search for Near Interface Oxide Traps - First-Principles Calculations on Intrinsic SiO2 Defects

Article Preview

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.

You might also be interested in these eBooks

Info:

Periodical:

Materials Science Forum (Volumes 483-485)

Pages:

569-572

Citation:

Online since:

May 2005

Export:

Price:

Permissions CCC:

Permissions PLS:

Сopyright:

© 2005 Trans Tech Publications Ltd. All Rights Reserved

Share:

Citation:

[1] V.V. Afanas'ev et al.: phys. stat. sol (a) , 162(1997), pp.321-337.

Google Scholar

[2] V.V. Afanas'ev et al.: APL , 76(2000), pp.336-338.

Google Scholar

[3] V.V. Afanas'ev et al.: J. Appl. Phys. , 79(1996), pp.3108-3114.

Google Scholar

[4] Ólafsson et al.: to be published , (), p.

Google Scholar

[5] S. Wang et al.: Phys. Rev. Lett. , 86(2001), pp.5946-5949.

Google Scholar

[6] P. Deák et al.: Physica B , 340-342(2003), pp.1069-1073.

Google Scholar

[7] C. Köhler et al.: Phys. Rev. B , 64(2001), p.085333.

Google Scholar

[8] Th. Frauenheim et al.: phys. stat. sol. (b) , 217(2000), p.41.

Google Scholar

[9] J.M. Soler et al.: J. Pyhs.: Condens. Matter , 14(2002), pp.2745-2779.

Google Scholar

[10] A.D. Becke: J. Chem. Phys. , 98(1993), pp.5648-5652.

Google Scholar

[11] V.R. Saunders et al.: CRYSTAL 2003 User's Manual (University of Torino, 2003).

Google Scholar

[12] N.B. Slater: J. Chem. Phys. , 35(1961), p.445.

Google Scholar

[13] U. Gerstmann et al.: Physca B , 340-342(2003), p.190.

Google Scholar

[14] Young-Gu Jin, K.J. Chang: Phys. Rev. B , 64(2001), p.085333.

Google Scholar

[15] A. Oshiyama: Jpn. J. Appl. Phys. , 37(1998), pp.232-234.

Google Scholar

[16] V.V. Afanas'ev et al.: Silicon Carbide, Recent Major Advances (Springer-Verlag Berlin Heidelberg, 2004).

Google Scholar