Manganese Impurity in Boron Nitride and Gallium Nitride
We carried out a theoretical investigation on the properties of manganese impurity centers in cubic boron and gallium nitrides. The calculations were performed using the all electron spin-polarized full-potential linearized augmented plane wave methodology. Our results indicate that manganese in boron nitride, in a neutral charge state, is energetically more favorable in a divacancy site as compared to a substitutional cation site. We present the results on stability, spin states, impurity magnetic moment, hyperfine parameters, and formation and transition energies of manganese at the divacancy site in several charge states.
Roberta Nipoti, Antonella Poggi and Andrea Scorzoni
L. V.C. Assali et al., "Manganese Impurity in Boron Nitride and Gallium Nitride", Materials Science Forum, Vols. 483-485, pp. 1047-1050, 2005