A study of the neutral undistorted vacancy in silicon
Within the local energy independent pseudopotential theory, a convergent supercell calculation of the position of the discrete impurity level produced by the neutral undistorted vacancy in silicon has been performed. Translational symmetry was reintroduced by placing the impurities on a Bravais lattice. The author made calculations with unit cells containing up to 2662 atoms plus vacancy. A deep l
