Central cell effects on the polarizabilities of shallow donors in silicon

Abstract

With the Topp and Hopfield form for the ionic pseudopotentials, the screened impurity pseudopotentials of the shallow donors P, As and Sb in silicon are obtained in closed form in the linearized Thomas-Fermi model. The results are compared with the screening using a k-dependent dielectric function. Using these impurity pseudopotentials in the multivalley effective mass equation, the binding energies of these donors in Si are estimated variationally. Adopting the Hasse variational method, the polarizabilities of the P, As and Sb donors in Si are computed and are found to be in excellent agreement with the polarizability values of isolated P and Sb in Si, deduced from recent piezocapacitance measurements.