Interplane coupling in the quasi-two-dimensional 1TTaS2

M. Bovet, S. van Smaalen, H. Berger, R. Gaal, L. Forró, L. Schlapbach, and P. Aebi
Phys. Rev. B 67, 125105 – Published 5 March 2003
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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 1TTaS2. 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.

  • Received 20 October 2002

DOI:https://doi.org/10.1103/PhysRevB.67.125105

©2003 American Physical Society

Authors & Affiliations

M. Bovet1, S. van Smaalen2, H. Berger3, R. Gaal3, L. Forró3, L. Schlapbach1, and P. Aebi1

  • 1Département de Physique, Université de Fribourg, Pérolles, CH-1700 Fribourg, Switzerland
  • 2Laboratory of Crystallography, University of Bayreuth, D-95440 Bayreuth, Germany
  • 3Institut de Physique Appliquée, EPFL, CH-1015 Lausanne, Switzerland

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Vol. 67, Iss. 12 — 15 March 2003

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