Theory of Shallow Donor States in Silicon —Substitutional Donors—

抄録

A variational formulation is presented in order to discuss the shallow donor states in Si. The theory is a combined one of the linear combination of atomic orbitals (LCAO) approach and the effective mass approach. It is shown that the central cell corrections play significant roles in 1s donor states, and that they should be expressed in a symmetry dependent form. The chemical shifts of the donor states are easily obtained. The observed binding energies and Fermi contact hyperfine interaction constants are reasonably explained.