Electronic band structures and charge densities of NbC and NbN

descriptionPublicationkeyboard_double_arrow_right Article 15 Jul 1974 United States English Publisher:American Physical Society (APS)Journal:Physical Review B, volume 10, pages 496-500 (issn: 0556-2805,

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Authors: Chadi, D.J.; Cohen, Marvin L.;

doi: 10.1103/physrevb.10.496

Electronic band structures and charge densities of NbC and NbN

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Abstract

We present nonlocal-pseudopotential calculations of the electronic band structures and charge densities of NbC and NbN. The major contribution to the charge density of the bands near the Fermi energy comes from C or N $4p$ states. The charge density for the first partially filled Nb $4d$ band and the shape of the Fermi surface for this band are also discussed.

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United States

Related Organizations

University of California
United States
University of California, Berkeley
United States
Lawrence Berkeley National Laboratory
United States
Division of Materials Research
United States
Directorate for Mathematical & Physical Sciences
United States

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