Band Structure and Charge Density of2HNbSe2

Abstract
The electronic energy band structure of 2HNbSe2 is calculated using the empirical pseudopotential method. The results are compared with other calculations and with experimental data. Charge densities for the completely filled valence bands and the partially filled conduction bands are calculated using a set of special k points in the Brillouin zone. The relations between the calculated charge densities and the various bonding models are discussed.