Structure and motion of basal dislocations in silicon carbide

• 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.

Ämnesord

NATURVETENSKAP  -- Matematik -- Beräkningsmatematik (hsv//swe)

NATURAL SCIENCES  -- Mathematics -- Computational Mathematics (hsv//eng)

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Scientific Computing

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