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

Autor: Thomas Frauenheim, Harald Overhof, E. Rauls, Uwe Gerstmann
Rok vydání: 2005
Předmět:
Zdroj: Materials Science Forum. :501-506
ISSN: 1662-9752
Popis: 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.
Databáze: OpenAIRE