bands of liquid La
- 15 May 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 25 (10) , 6089-6095
- https://doi.org/10.1103/physrevb.25.6089
Abstract
The electronic structure of liquid La is calculated by applying the linear combination of atomic orbitals method to a cluster of 365 atoms. Although the and bands are of nearly the same width and are strongly hybridized in the solid, we find that in the liquid the states retain their propagating character much more so than do the states. This suggests, tentatively, that in the calculation of the conductivity it is more nearly correct to treat only the electrons as current carriers than to regard both and electrons as conduction electrons.
Keywords
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