Phys. Rev. B 15, 1755 - 1759 (1977)

Self-consistent pseudopotential calculation of the electronic structure of Nb

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K. M. Ho, Steven G. Louie *, James R. Chelikowsky , and Marvin L. Cohen
Department of Physics, University of California and Materials and Molecular Research Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

Received 12 October 1976

The electronic structure of Nb is calculated using a self-consistent pseudopotential method. The calculated band structure and density of states are in good agreement with augmented-plane-wave calculations and with photoemission measurements. The total electronic charge density and partial charge densities for specific energy regions are presented and discussed.


©1977 The American Physical Society

URL: http://link.aps.org/abstract/PRB/v15/p1755
DOI: 10.1103/PhysRevB.15.1755

* Supported in part by the NSF.
Present address: Bell Telephone Laboratories, Murray Hill, N. J. 07974.

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