Calculation of the g‐shift and superhyperfine structure tensor of Mn²⁺ ion in AIIBVI tetrahedral semiconductors

Multiple scattering method is used to obtain wave functions and energy levels of the 17‐atom cluster MnB 4 A 12 . The influence of all other atoms of the crystal is assumed to produce an additional constant potential only. At the Mn site, the correction to the potential is introduced to give most probable values of the cubic field splitting parameter Δ. For these values of Δ, the g ‐shift and superhyperfine structure tensor are calculated and compared with experimental data.