The effective mass of the materials relies on exciton dynamics which is greatly dominated by energy gap of the materials. We examined the effective mass for the Al2O3/NiO nanoheterostructure material through polarization in the dielectric study. The mean optical effective mass was calculated to be mopt* = 5.69645 × 10–20mop/m0 in the UV–visible region (1 × 106 to 5.4 × 106 Hz). From the group and phase velocity values, we observed that Al2O3/NiO is an anisotropic material. The electron spin–orbit energy splitting associated to electron in the valence band was identified using the Gaussian-confining 3D potential under normalized angular momentum (n, l = 0, 1, 2, 3). The 1S (1S1/2) and 2S (2S1/2) orbital ionization energies were calculated to be −6.08 and −5.99 eV for AlO3/NiO. The orbital ionization energies were established from the Bohr radius aB = 5.29 × 10–11 m and donor Rydberg constant Ry = 1.097 × 107 m–1 of the identical hydrogen atom. Our study gives insights into the exciton dynamics and calculation of orbital energy for the nanoheterostructure materials.