STRUCTURE AND ENERGY LEVELS OF DISLOCATIONS IN SILICON

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Abstract
This paper describes the geometry and electron states of straight partial dislocations in Si. It is emphasized that the energy levels depend strongly on core structure. Core reconstructions which eliminate all dangling bonds at the expense of strain energy leave few, if any, levels in the band gap. The levels of the 90° and 30° partials vanish completely while an empty level close to the conduction band may remain for the 60° partial due to a stretched bond in its core. For the 90° partial we also report results corresponding to a (1x1) inward relaxed (strengthening of back bonds) and a (2x1) buckled model. In the latter case a filled band ranging to Ev + 0.25 eV separated by a gap of 0.25 eV to an empty band was found

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