| 1. |
- Blumenau, A.T., et al.
(författare)
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The effect of charge on kink migration at 90° partial dislocations in SiC
- 2005
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Ingår i: Physica Status Solidi (a) applications and materials science. - : Wiley. - 1862-6300 .- 1862-6319. ; 202:5, s. 877-882
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Tidskriftsartikel (refereegranskat)abstract
- SiC bipolar devices show a degradation under forward-biased operation which has been linked with a recombination enhanced motion of one of the two glide dislocations having either Si or C core atoms. We have carried out calculations of the core structures and dynamics of partial dislocations in 3C and 2H-SiC using the density functional based codes DFTB and AIMPRO. After in earlier theoretical work we reported on the structure, energetics and electronic activity of both of the Shockley partials, and on the formation and migration barriers of kinks, in this work we present first results on the effect of charge on the disloction kinks. The calculations give insights into the device degradation mechanism.
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| 2. |
- Fujita, N., et al.
(författare)
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Diffusion of nitrogen in silicon
- 2005
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Ingår i: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 87:2, s. 21902-
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Tidskriftsartikel (refereegranskat)abstract
- We use local density functional theory to investigate the diffusion of nitrogen dimers in silicon. We investigate several trajectories for the diffusing dimer finding an alternative one whose barrier is 2.69 eV and in close agreement with experimental diffusion data carried out at high temperature. We suggest that recent reports of a low barrier of 1.45 eV found from studies of dislocation unlocking are to be understood from the interaction of nitrogen dimers with interstitials or vacancies released by the dislocation.
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| 3. |
- Fujita, N., et al.
(författare)
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Theoretical investigations of the diffusion of nitrogen-pair defects in silicon
- 2005
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Ingår i: Solid State Phenomena. - 1012-0394 .- 1662-9779. ; 108, s. 407-12
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Tidskriftsartikel (refereegranskat)abstract
- The formation of oxygen precipitates and microvoids as well as the movement and growth of dislocations are strongly affected by the presence of nitrogen. However, the diffusion mechanism of nitrogen is unclear with several conflicting reports in the literature. Here, ab initio density functional theory is used to investigate diffusion mechanisms of the nitrogen-pair defect in silicon. We find a new metastable nitrogen-pair defect structure, which is lower in energy than any structures previously considered as intermediate structures in the minimum energy paths. Thus, by including this new metastable structure, we suggest a more likely, alternative reaction path whose barrier is 2.69 eV. This is compared with experimental barriers
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