A phenomenological approach to the study of stretching-mode vibrational frequencies of defects was proposed. A quantum scale was defined in terms of the first-principles pseudopotential-based orbital radius and the principal quantum number of the element that was concerned. A universal linear relationship was established between the Sanderson electronegativity and the present quantum scale. It was then shown that the stretching-mode vibrational frequencies of H and Cl in the Si network scaled linearly with the quantum scale. The prediction and identification of defect environments around Si-H and Si-Cl was possible.

H.C.Verma, G.C.John, V.A.Singh: Physical Review B, 1996, 53[15], 9831-7