Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1483325 | Journal of Non-Crystalline Solids | 2007 | 5 Pages |
Abstract
It is well-known that liquid caesium shows some unusual properties at low densities. We used supercell technique within linear muffin-tin orbital method to investigate this phenomenon. Electronic structure of liquid caesium for different temperatures from the melting point up to critical point was obtained. The atomic structure was simulated for a cluster of 2000 atoms by the Reatto method on the base of experimental structure factors of Cs obtained by Winter and co-workers for different temperatures (from 323Â K up to 1923Â K). The Kubo-Greenwood formula was applied for the calculations of melts conductivity. The received results indicate that metal-nonmetal transition in liquid cesium is connected not to the gap at Fermi energy in density of electronic states, but more likely with electrons localization on some kind of atomic clusters.
Keywords
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Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
Alexander Vorontsov, Alexander A. Mirzoev, German P. Vyatkin, Andrey Sobolev,