Interplane coupling in the quasi-two-dimensional 1T-TaS₂

Titelangaben

Bovet, M. ; van Smaalen, Sander ; Berger, H. ; Gaal, R. ; Forró, L. ; Schlapbach, L. ; Aebi, P.:
Interplane coupling in the quasi-two-dimensional 1T-TaS₂.
In: Physical Review B. Bd. 67 (2003) Heft 12 . - No. 125105.
ISSN 0163-1829
DOI: https://doi.org/10.1103/PhysRevB.67.125105

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Abstract

Density-functional band-structure calculations including atomic displacements in the charge-density wave phase have been performed for the layered 1T−TaS2. 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.