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Charge states of vacancies in IV–VI semiconductors

✍ Scribed by O.A Pankratov; P.P Povarov


Publisher
Elsevier Science
Year
1988
Tongue
English
Volume
66
Category
Article
ISSN
0038-1098

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Neutral Vacancies in Group-IV Semiconduc
✍ A. Zywietz; J. Furthmüller; F. Bechstedt 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 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