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.
Paper
A comparative study of the (111), (110) and (100) surfaces of silicon using the local density of states method applied to the bond orbital model
Abstract
The authors combine the local density of states method with the bond orbital model to study several surfaces of silicon. Relaxation, hydrogen chemisorption and a 21 reconstruction have been considered for the (111) surface. In addition, surface-state band structures and total densities of states are reported for both the ideal (100) surface and a model of its 21 reconstruction, using a slab model. By examining local densities of states which have been obtained in the same way for all the surfaces considered, it is possible to see the strong similarities in most of the valence band as well as the differences in the details of the dangling-bond surface states. The effect of the surface on the lower part of the valence band is seen to be insensitive to relaxation and reconstruction.