Neutral Vacancies in Group-IV Semiconduc
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A. Zywietz; J. Furthmüller; F. Bechstedt
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Article
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1998
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John Wiley and Sons
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English
⚖ 347 KB
Ab initio plane-wave-supercell calculations are performed for the neutral monovacancies in silicon, silicon carbide and diamond using ultrasoft non-normconserving Vanderbilt pseudopotentials. We study the structure, the energetics and the single-particle energy spectrum. The local symmetry, the atom