Ab Initio Calculation of Shallow Defects: Results for P-Related Donors in SiC

Abstract:

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The conclusion which is drawn from the EPR line broadening and narrowing of the N shallow donor in an isotope enriched and non-enriched 4H-SiC and 6H-SiC crystals along with previous ENDOR results shows that the spin-density distribution over the C and Si nuclei differs between the 4H-SiC and 6H-SiC polytypes. The main part of the spin density in 4H-SiC is located on the Si sublattice. In contrast, in 6H-SiC the main part of the spin density is located on the C sublattice. An explanation for the difference in the electronic wave function of the N donor in 4HSiC and 6H-SiC can be found in the large difference in the band structure of two polytypes and in the position of the minima in the Brillouin zone.

Info:

Periodical:

Materials Science Forum (Volumes 483-485)

Edited by:

Roberta Nipoti, Antonella Poggi and Andrea Scorzoni

Pages:

501-506

DOI:

10.4028/www.scientific.net/MSF.483-485.501

Citation:

U. Gerstmann et al., "Ab Initio Calculation of Shallow Defects: Results for P-Related Donors in SiC", Materials Science Forum, Vols. 483-485, pp. 501-506, 2005

Online since:

May 2005

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$35.00

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