Electronic structure and Fermi-surface-related instabilities in 1 T-TaS2 and 1 T-TaSe2

H. W. Myron, Arthur J Freeman

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The electronic-energy-band structure and full-Brillouin-zone Fermi surfaces of the layered dichalcogenides, 1 T-TaS2 and 1 T-TaSe2, have been calculated using the Korringa-Kohn-Rostoker method in the muffin-tin approximation. We find that the Fermi surfaces for both systems away from symmetry points and lines have cross sections which are approximately constant along the z direction. Strong nesting features of the Fermi surface are found for a spanning vector parallel to the ΓM direction in reciprocal space with values in good agreement with the charge-density-wave results found by Wilson, Di Salvo, and Mahajan for these compounds.

Original languageEnglish
Pages (from-to)2735-2739
Number of pages5
JournalPhysical Review B
Issue number8
Publication statusPublished - 1975


ASJC Scopus subject areas

  • Condensed Matter Physics

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