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Combined photoemission and inverse photoemission study of HfS2

M. Traving, T. Seydel, L. Kipp*, and M. Skibowski

F. Starrost, E. E. Krasovskii, A. Perlov, and W. Schattke

  • Institut für Experimentelle und Angewandte Physik, Universität Kiel, D–24098 Kiel, Germany

  • Institut für Theoretische Physik, Universität Kiel, D–24098 Kiel, Germany

  • *Author to whom correspondence should be addressed.
  • Present address: Institute of Metal Physics, Ukrainian Academy of Sciences, Vernadskogo 36, 252180 Kiev – 142, Ukraine.

Phys. Rev. B 63, 035107 – Published 2 January, 2001

DOI: https://doi.org/10.1103/PhysRevB.63.035107

Abstract

We report on a comprehensive study of the electronic structure of the layered semiconductor 1THfS2. The occupied and unoccupied band structure has been investigated by combined angle-resolved photoemission and inverse photoemission. The results are discussed in the context of a fully relativistic linear-muffin-tin-orbital calculation as well as an extended linear-augmented-plane-wave calculation showing a very good agreement between experiment and theory. From the measurements, we obtain an indirect band gap of 2.85 eV between Γ and M/L. This value differs significantly from optical results (2eV). In the normal direction we observe the direct band gap of 3.6 eV.

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