Electronic Structure of the Pseudo-One-Dimensional Superconductor Tl sub 2 Mo sub 6 Se sub 6 According to SCF Scattered-Wave X Alpha Computations

Electronic Structure of the Pseudo-One-Dimensional Superconductor Tl sub 2 Mo sub 6 Se sub 6 According to SCF Scattered-Wave X Alpha Computations

The electronic structure of Tl sub 2 Mo sub 6 Se sub 6 has been investigated using the X alpha cluster approach. The ground-state eigenvalues show that the Fermi level lies in the single degenerated band which supports the experimental results. Contour maps show the anisotropic character of the wave...

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Veröffentlicht in:Solid state communications 1982-07, Vol.43 (1), p.19-23
1. Verfasser: Le Beuze, A
Format: Artikel
Sprache:eng
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Zusammenfassung:The electronic structure of Tl sub 2 Mo sub 6 Se sub 6 has been investigated using the X alpha cluster approach. The ground-state eigenvalues show that the Fermi level lies in the single degenerated band which supports the experimental results. Contour maps show the anisotropic character of the wave functions of this Fermi level. The metal--metal and metal--selenides interactions are discussed. 11 ref.--AA
ISSN:0038-1098