Phys. Rev. B 68, 174108 (2003) [14 pages]Structure and motion of basal dislocations in silicon carbideReceived 9 May 2003; revised 25 August 2003; published 21 November 2003 30° and 90° Shockley partial dislocations lying in {111} and basal planes of cubic and hexagonal silicon carbide, respectively, are investigated theoretically. Density-functional-based tight-binding total-energy calculations are used to determine the core structure and energetics of the dislocations. In a second step their electronic structure is investigated using a pseudopotential method with a Gaussian basis set. Finally, the thermal activation barriers to glide motion of 30° and 90° Shockley partials are calculated in terms of a process involving the formation and migration of kinks along the dislocation line. The mechanism for enhanced dislocation movement observed under current injection conditions in bipolar silicon carbide devices is discussed. © 2003 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.68.174108
DOI:
10.1103/PhysRevB.68.174108
PACS:
61.72.Lk, 71.15.Nc, 71.55.-i
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