ISSN:
1662-9752
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
In this work, the effects of the diameter and morphology on the electronic band structure ofhydrogenated cubic silicon carbide (b-SiC) nanowires is studied by using a semiempirical sp3s*tight-binding (TB) approach applied to the supercell model, where the Si- and C-dangling bonds onthe surface are passivated by hydrogen atoms. Moreover, TB results (for the bulk) are compared withdensity functional calculations in the local density approximation. The results show that thoughsurface morphology modifies the band gap, the change is more systematic with the thicknessvariation. As expected, hydrogen saturation induces a broadening of the band gap energy because ofthe quantum confinement effect
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/20/transtech_doi~10.4028%252Fwww.scientific.net%252FMSF.600-603.575.pdf
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