Theory of optical-phonon deformation potentials in tetrahedral semiconductors

Abstract

A nonlocal pseudopotential theory of the optical-phonon deformation potentials in 11 diamond and zinc-blende semiconductors is presented. The one-phonon deformation potentials associated with the major conduction- and valence-band states at the $\ensuremath{\Gamma}$, $L$, and $X$ point are calculated. The effect of the spin-orbit interaction on the optical deformation potentials is examined in detail. The published experimental data are compared both to one another and to the present theory. In addition, an analytical linear combination of atomic orbitals (LCAO) model is developed which predicts the optical deformation potentials for any tetrahedral semiconductor in a simple yet accurate way. The optical deformation potentials are presented for 37 semiconductors. The LCAO model also yields an analytical expression for the optical deformation potentials in terms of the observed optical gaps of the semiconductors.