liu.seSearch for publications in DiVA
Change search
ReferencesLink to record
Permanent link

Direct link
Stacking faults in 3C-, 4H-, and 6H-SiC polytypes investigated by an ab initio supercell method
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology.
2003 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, Vol. 67, no 15Article in journal (Refereed) Published
Abstract [en]

Recent attempts to make SiC diodes have revealed a problem with stacking fault expansion in the material, leading to unstable devices. In this paper, we present detailed results from a density-functional supercell calculation on the electronic structure of stacking faults which result from glide of Shockley partials in 3C-, 4H- and 6H-SiC. It was found [Phys. Rev. B 65, 033203 (2002)] that both types of stacking faults in 4H-SiC and two types of stacking faults in 6H-SiC give rise to band states, which are strongly localized (confined within around 10 Angstrom) in the direction orthogonal to the stacking fault plane. Based on estimates of the band offsets between different polytypes and a simple quantum-well theory, we show that it is possible to interpret this one-dimensional localization as a quantum-well confinement effect. We also find that the third type of stacking fault in 6H-SiC and the only stacking fault in 3C-SiC do not give rise to states clearly separated from the band edges, but instead give rise to rather strongly localized band states with energies very close to the band edges. We argue that these localized near band edge states are created by stacking fault induced changes in the dipole moment associated with the hexagonal symmetry. In addition, we have also calculated the stacking fault energies, using both the supercell method and the simpler ANNNI (axial next nearest-neighbor Ising) model. Both theories agree well with the low stacking fault energies found experimentally.

Place, publisher, year, edition, pages
2003. Vol. 67, no 15
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-47803DOI: 10.1103/PhysRevB.67.155204OAI: diva2:268699
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-13

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Lindefelt, Ulf
By organisation
The Institute of TechnologyDepartment of Physics, Chemistry and Biology
In the same journal
Physical Review B. Condensed Matter and Materials Physics
Engineering and Technology

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 46 hits
ReferencesLink to record
Permanent link

Direct link