About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
Physical Review B
Paper
Non-muffin-tin energy bands for silicon by the Korringa-Kohn-Rostoker method
Abstract
A method is proposed for removing the "muffin-tin" restriction from the Green's function or the Korringa-Kohn-Rostoker method of band calculation and, more generally, from multiple-scattering theory as formulated by Beeby and Edwards. The method is applied to a model for crystalline silicon involving a single parameter which is adjusted to reproduce the experimental indirect gap. The numerical results are in good agreement with a large number of experiments and in particular support the view that the Δ axis is important to the reflectivity peak at 3.4 eV. (The energy separation Γ15-Γ25′ is found to be 3.04 eV.) © 1970 The American Physical Society.