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• W2003332586 abstract "A new method of band calculation suitable for layer-type crystals is presented. In this method the electron motion in a monolayer is treated at first using the two-dimensional OPW's and the layer functions which are defined as to be localized near the layer. Secondly the wave function of the three-dimensional crystal is constructed by the tight binding (TB) method. As an example, the π band structure of graphite is calculated using the simple screened Coulombic model potential. The results reveal the usefulness of this new method and calculated π band structure explains fairly well the various experimental results of graphite." @default.
• W2003332586 created "2016-06-24" @default.
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• W2003332586 date "1972-01-01" @default.
• W2003332586 modified "2023-09-29" @default.
• W2003332586 title "Combined OPW-TB Method for the Band Calculation of Layer-Type Crystals. I. General Formalism and Application to the π Band of Graphite" @default.
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• W2003332586 doi "https://doi.org/10.1143/jpsj.32.54" @default.
• W2003332586 hasPublicationYear "1972" @default.
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