The covalent effect on the energy levels of d super(2) ions in tetragonal crystal

In contrast to the traditional method which is unsuitable for the prediction of optical for the transition metal ion in covalence and low-symmetry crystal, this paper reports a new method to investigate the optical properties of d super(2) ions in covalent and tetragonal crystals and provides a new energy matrix. By using the energy matrix, the variation of energy levels and of the energy-level splitting as the parameter [epsilon] are studied; the energy-levels calculated by energy matrix taking no account of crystal-field parameter (ProQuest: Formulae and/or non-USASCII text omitted) and by energy matrix taking account of (ProQuest: Formulae and/or non-USASCII text omitted) are compared. It was found that the effect of the difference of covalence factors N sub(t) and N sub(e) on the energy levels and the energy-level splitting is very important and cannot be neglected when the optical properties of d super(2) ions in strong covalent crystals are investigated; (ProQuest: Formulae and/or non-USASCII text omitted) has an important contribution to the energy levels and should not be neglected; the different covalence of t sub(2) and e orbitals should be considered not only in the electrostatic repulsions part of the energy matrix but also in the crystal-field potential part of the energy matrix. The complete matrix is applied to calculate the energy-levels of GaP : V super(3+) semiconductor. The calculated results are in agreement with the experiment data.