A tight binding fit to the bandstructure of 2H-NbSe<sub>2</sub> and NbS<sub>2</sub>
N J Doran; D J Titterington; B Ricco; G Wexler; N J Doran; Cavendish Lab., Univ. of Cambridge, Cambridge, UK; D J Titterington; Cavendish Lab., Univ. of Cambridge, Cambridge, UK; B Ricco; Cavendish Lab., Univ. of Cambridge, Cambridge, UK; G Wexler; Cavendish Lab., Univ. of Cambridge, Cambridge, UK
Журнал:
Journal of Physics C: Solid State Physics
Дата:
1978-02-28
Аннотация:
A Slater-Koster tight binding fitting scheme is presented for the band structure of the group V 2H layer compounds. This is used to fit to the 'd' and 'p' bands of NbSe<sub>2</sub> and NbS<sub>2</sub> as calculated by the layer method. Details are given of the symmetrisation throughout the hexagonal Brillouin zone. From the fit the densities of states are calculated and the results discussed.
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