Abstract
A method of band calculation which is a kind of combination of KKR and plane-wave expansion is described. A Bloch function is expanded into plane waves only on planes between atomic layers. Matrix elements between these plane waves are calculated from the scattering property of the atomic layers by means of the KKR method modified to a two-dimensional form. Apart from the obvious possibilities of application to crystals with surfaces (e.g., LEED) or interfaces, there are several characteristics which appear to favor this method in proper band calculation.
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References
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© 1971 Plenum Press, New York
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Kambe, K. (1971). A KKR Method for Two-Dimensional Lattices and Its Application to Band Calculation. In: Marcus, P.M., Janak, J.F., Williams, A.R. (eds) Computational Methods in Band Theory. The IBM Research Symposia Series. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-1890-3_33
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DOI: https://doi.org/10.1007/978-1-4684-1890-3_33
Publisher Name: Springer, Boston, MA
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