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The Pressure Dependence of the Density of States and the Energy Gap of Trigonal Te

  • J. von Boehm
  • H. Isomäki

Abstract

Using the recent pressure dependent self-consistent symmetrized orthogonalized-plane-wave (SOPW) results (general non-muffin-tin Xα potential with α = 1, 235 SOPWs at each of symmetry points Γ, A, K, H, K′ and H′) the densities of states (DOS) at the pressures 0, 8 and 38 kbar are calculated for trigonal Te. The quadratic Lagrangian interpolation of the energies evaluated in the final self-consistent potential with 201 OPWs at 131 symmetry independent k-points and the Gilat-Raubenheimer method are used. Our DOS agrees closely with the DOS of Starkloff and Joannopoulos at 0 and 8 kbar and with the X-ray photoemission results of Schlüter et al. The pressure dependence of the transitions associated with smallest energies is also investigated.

Keywords

Pressure Dependence Symmetry Point Lower Diagram Lower Conduction Band Valence Electron Density 
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Copyright information

© Springer Science+Business Media New York 1981

Authors and Affiliations

  • J. von Boehm
    • 1
  • H. Isomäki
    • 1
  1. 1.Electron Physics Laboratory and Department of General SciencesHelsinki University of TechnologyEspoo 15Finland

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