TITLE

The absorption spectrum of hydrogenated silicon carbide nanocrystals from ab initio calculations

AUTHOR(S)
Vörös, Márton; Deák, Péter; Frauenheim, Thomas; Gali, Adam
PUB. DATE
February 2010
SOURCE
Applied Physics Letters;2/1/2010, Vol. 96 Issue 5, p051909
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The electronic structure and absorption spectrum of hydrogenated silicon carbide nanocrystals (SiC NCs) have been determined by first principles calculations. We show that the reconstructed surface can significantly change not just the onset of absorption but the shape of the spectrum at higher energies. We compare our results with two recent experiments on ultrasmall SiC NCs.
ACCESSION #
47929039

 

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