Abstract
The electronic structure of four SiC polytypes has been computed by means of the LMTO (ASA+CC) method. It is shown that the results of the calculations are very sensitive to the choice of the atomic sphere radii, if the combined corrections are not taken into account in the ASA. The local electronic structure shows a different behaviour between the states in the cubic bilayers and those in the hexagonal ones. It is found that the interaction of c and h bilayers plays a major role, giving rise to changes in the polarity of the Si - C bonds and to charging of bilayers. The effect of the lattice distorsion on the local valence electron charge has been investigated and discussed.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
