Interplane coupling in the quasi-two-dimensional 1 T − TaS 2
2003; American Physical Society; Volume: 67; Issue: 12 Linguagem: Inglês
10.1103/physrevb.67.125105
ISSN1095-3795
AutoresM. Bovet, Sander van Smaalen, H. Berger, Richard Gaál, Lászlø Forró, L. Schlapbach, P. Aebi,
Tópico(s)Organic and Molecular Conductors Research
ResumoDensity-functional band-structure calculations including atomic displacements in the charge-density wave phase have been performed for the layered $1T\ensuremath{-}{\mathrm{TaS}}_{2}.$ This quasi-two-dimensional material exhibits a charge-density wave extending in all three dimensions. We find that the topmost occupied Ta d band is localized in plane but strongly disperses perpendicular to the layers showing favorable nesting conditions in z direction. The calculations are compared to angle-resolved photoemission experiments and possible consequences on the temperature behavior of the resistivity are discussed.
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