Abstract
AbstractElectron states associated with 30° and 90° partial dislocations in diamond are examined by the use of Slater‐Koster parameters evaluated form first principles. The partial dislocations give half‐filled bands in the lower half of the band gap. A possible reconstruction of the 90°‐partial is also considered but found to be unlikely. Including non‐spherical parts of the crystal potential in the calculation of the matrix elements for the atoms with a dangling bond did not appreciably alter the result for the 90° partial.
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