Hartree-Fock Cluster Study of Electronic Structure of Gallium Nitride and ^69,71Ga and ^14N Nuclear Quadrupole Interactions

The Hartree-Fock Cluster procedure is used to study the electron distribution in GaN. The convergence of our results with respect to the size of the variational basis set and size of cluster employed has been investigated. Using the calculated electron distribution we have studied the ^69,71Ga and ^14N nuclear quadrupole coupling constants (NQCC). The influence of many-body effects on the NQCC has been examined. Our calculated NQCC will be compared with available experimental results(S. H. Choh, I. W. Park, H. J. Kim and S. S. Park, Proc. XVI Int. Symp. Nuclear Quadrupole Interactions, Zeits. f. Naturforschung (in press).).