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arxiv: 1210.2902 · v3 · pith:35VUEVL4new · submitted 2012-10-10 · ❄️ cond-mat.mtrl-sci · cond-mat.mes-hall

Extended point defects in crystalline materials: Ge and Si

classification ❄️ cond-mat.mtrl-sci cond-mat.mes-hall
keywords diffusionpointself-interstitialcrystallinedefectsentropyformsamorphous
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B diffusion measurements are used to probe the basic nature of self-interstitial 'point' defects in Ge. We find two distinct self-interstitial forms - a simple one with low entropy and a complex one with entropy ~30 k at the migration saddle point. The latter dominates diffusion at high temperature. We propose that its structure is similar to that of an amorphous pocket - we name it a 'morph'. Computational modelling suggests that morphs exist in both self-interstitial and vacancy-like forms, and are crucial for diffusion and defect dynamics in Ge, Si and probably many other crystalline solids.

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