The electronic structure of the (001) ideal surface of niobium is calculated using a self-consistent pseudopotential method. Surface states are identified and analyzed throughout the two-dimensional Brillouin zone. Charge densities and the local density of states near the surface are presented and discussed. Our calculations predict strong surface features in the density of states in the range 0-2 eV above the Fermi energy. Occupied surface states are also discussed.
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Louie et al. (1976) studied this question.
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