Abstract
The Zn, Si and S interstitials in silicon are studied at the hexagonal site with the large unit cell pseudopotential method. The electronic energy scheme and charge density are investigated. The origin of the impurity related states stems from the interactions between the atomic orbitals of the interstitials and the nearest-neighbour bonding orbitals of the host crystal. The energy levels are strongly affected by the impurity potential.
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© 1988 Springer-Verlag
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Papp, G., Boguslawski, P., Baldereschi, A. (1988). Hexagonal site interstitial related states in silicon. In: Ferenczi, G., Beleznay, F. (eds) New Developments in Semiconductor Physics. Lecture Notes in Physics, vol 301. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0034425
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DOI: https://doi.org/10.1007/BFb0034425
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