Magnetic susceptibility calculation of semiconductor compounds AIIIBV in the MOLCAO approximation

A semiempirical model for calculating magnetic susceptibility, which allows to substantiate the magnetic susceptibility dependence on the crystal symmetry and the nature of interatomic interaction in it, has been proposed. Diamagnetic term of magnetic susceptibility in one electron approximation together with radius mean square of atoms in the A^IIIB^V compound is shown to be determined by the distance, position of gravity center of charge cloud, the degree of covalency of the compound and the overlapping integrals. Paramagnetic term of magnetic susceptibility in the approximation of the first coordination sphere is determined by the averaged transition energy between the excited and unexcited p-levels of the system, the bond nature in a semiconductor and the overlapping integrals. Numerical results satisfactorily agree with the experimental data.