On the electronic structure of some metal hexaborides
- 7 November 1975
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 8 (21) , 3558-3570
- https://doi.org/10.1088/0022-3719/8/21/026
Abstract
An LCAO technique has been used for calculating the band structures of the hexaborides of Ca, Sr, Ba and La. The first three of these are shown to have small band gaps. The stability of the metal hexaborides and the B6 sublattice is discussed and it is shown that electron density accumulates inside each cage. The metallic conductivity of LaB6 is explained and the Hall coefficient for this substance is calculated.Keywords
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