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.
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von Boehm, J., Isomäki, H. (1981). The Pressure Dependence of the Density of States and the Energy Gap of Trigonal Te. In: Devreese, J.T., Lemmens, L.F., van Doren, V.E., van Royen, J. (eds) Recent Developments in Condensed Matter Physics. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-3902-1_40
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DOI: https://doi.org/10.1007/978-1-4684-3902-1_40
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