J E Lowther 1980 J. Phys. C: Solid State Phys. 13 3665 doi:10.1088/0022-3719/13/19/010
J E Lowther
Show affiliationsA self-consistent procedure for interpolating defect parameters from perfect lattice tight-binding Slater-Koster parameters is applied to a 17 atom silicon cluster. Deep-level states associated with the neutral lattice vacancy, and charged states of some deep donors in silicon, are studied where meaningful quantitative results are established for both energy levels and particularly the associated lattice relaxation. The model is finally applied to study the amphoteric Au centre, where it is concluded from structural bonding considerations that a lattice reconstruction about the centre is responsible for the acceptor behaviour of the defect. It is then suggested that donor behaviour is associated with a deep level relating to an s orbital of the chemical defect itself.
71.55.Cn Elemental semiconductors
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Issue 19 (10 July 1980)
J E Lowther 1980 J. Phys. C: Solid State Phys. 13 3665
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