Electronic energy bands of VH2and NbH2
- 1 September 1982
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 12 (9) , 1923-1929
- https://doi.org/10.1088/0305-4608/12/9/014
Abstract
Electronic energy bands of transition metal dihydrides VH2 and NbH2 have been calculated by the composition wave variational version of the APW method. The crystal potentials have been constructed by the superposition of the atomic potential of Herman and Skillman (1963). The band structures thus obtained have been utilised to calculate the density of states, optical absorption spectra and Fermi surfaces of these two transition metal hydrides. The results of VH2 have been compared with the theoretical work of Kulikov (1979).Keywords
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