Abstract
The electronic structure of group IV impurities in InP has been analysed using a discrete variational Xalpha self-consistent field method in the embedded scheme within the local-density framework. The pure semiconductor gap is calculated to be 1.44 eV in very good agreement with the experimental value of 1.41 eV. The defected clusters are studied by substituting C, Si, Ge and Sn at the central In site. All the impurities but C show a donor-like behaviour with states introduced deep in the gap region of the host semiconductor. The charge distributions and the density of states are calculated. Comparison with experimental results are made wherever available.
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