Electronic structure of the Au-Mn pair complex in silicon

Abstract

The electronic structure of the substitutional goldin-terstitial-manganese pair complex in silicon has been studied using the multiple-scattering Xα molecular cluster model. A 25Si + Au sMn i cluster is adopted and the boundary condition problem was solved according to the Watson-sphere terminated cluster model. The calculations indicate that the Au-Mn complex has a spin S=2 in the neutral charge state and S= 3 2 in the positive and negative charge states. These values are compared with the results obtained from EPR experiments.