Abstract
AbstractThe many‐electron theory of the valence band structure in diamond‐like and sphaleritetype crystals, developed in [4, 5], is discussed with reference to Löwdin's AMO method. The one‐electron orbitals appearing in [4, 5] are shown to be equivalent to the functions used in the refined many‐parameter AMO method. The present treatment of the state of a crystal containing a hole includes consideration of the correlation between the two electrons with opposite spins which form a valence bond. Thus, the many‐electron approach makes the approximation used more flexible, and gives a more accurate value of the hole energy E(k) than the one‐electron theories [2]. It also leads to eight twofold spin‐degenerate valence bands (neglecting the spin‐orbit interaction) as opposed to four valence bands in [2]. The “additional” valence bands seem to display themselves in X‐ray emission spectra of the crystals considered.
Published Version
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