Unoccupied electron states of TiS2 studied by means of polarized x-ray absorption

A. Šimůnek, O. Šipr, S. Bocharov, D. Heumann, and G. Dräger
Phys. Rev. B 56, 12232 – Published 15 November 1997
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Abstract

Using polarized x-ray-absorption spectroscopy along with band-structure and real-space multiple-scattering calculations, we have studied unoccupied states of TiS2. With respect to titanium and sulfur sites, the local angular momentum projections of the density of states are presented for states up to 25 eV above the Fermi level. Good agreement between experiment and theory suggests that quadrupole (1sd) transitions in Ti K absorption are negligible compared to dipole (1sp) transitions. We have applied a new technique for construction of pseudopotentials adapted to the chemical bond and found that previous calculation of electronic states with energies higher than 10 eV above Fermi level was not correct.

  • Received 21 July 1997

DOI:https://doi.org/10.1103/PhysRevB.56.12232

©1997 American Physical Society

Authors & Affiliations

A. Šimůnek and O. Šipr

  • Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnická 10, 162 53 Praha 6, Czech Republic

S. Bocharov, D. Heumann, and G. Dräger

  • Fachbereich Physik der Martin-Luther-Universität Halle-Wittenberg, Friedemann-Bach-Platz 6, D-06108 Halle, Germany

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Issue

Vol. 56, Iss. 19 — 15 November 1997

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