Abstract
The semi-empirical superposition model has been applied to calculate the zero field splitting parameters of $Mn^{2+}$ion in $LiTaO_3$ single crystal, assuming that $Mn^{2+}$ion occupies one of two possible sites: $Li^{l+} \;or\; Ta^{5+}$ site, respectively. The 2nd-order axial zero field splitting parameters are $958\times10^{-4}cm^{-1}\; at\; Li^{1+}$ site and $193\times 10^{-4}cm^{-1} \;at\; Ta^{5+}$ site for $Mn^{2+}$ions. The 4th-order zero field splitting parameters at $Li^{l+} \;and\; Ta^{5+}$ sites are also determined. These calculated zero field splitting parameters are very important to determine the substitutional sites of doped impurity ions in $LiTaO_3$ crystal.