Existence of a vacancy band in electronic structures of niobium metal compounds
- 1 January 1983
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine Part B
- Vol. 47 (1) , 107-111
- https://doi.org/10.1080/01418638308226788
Abstract
The existence of a vacancy band in a series of niobium metal compounds, NbO, NbN and NbC, has been established by calculations using the DV-Xα cluster method. The vacancy band originating from the anion vacancies appears below the Fermi level. This band is mainly occupied by the Nb-4d electrons. Such an enhancement in the partial density of states of Nb-4d below the Fermi level is perhaps related to the stability of these compounds with a large number of vacancies.Keywords
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