Electronic structure of FeCr<sub>2</sub>S<sub>4</sub> and Fe<sub>0.5</sub>Cu<sub>0.5</sub>Cr<sub>2</sub>S<sub>4</sub>
E Z Kurmaev; A V Postnikov; H M Palmer; C Greaves; St Bartkowski; V Tsurkan; M Demeter; D Hartmann; M Neumann; D A Zatsepin; V R Galakhov; S N Shamin; V Trofimova
Журнал:
Journal of Physics: Condensed Matter
Дата:
2000-06-26
Аннотация:
A full study of the electronic structures of FeCr<sub>2</sub>S<sub>4</sub> and Fe<sub>0.5</sub>Cu<sub>0.5</sub>Cr<sub>2</sub>S<sub>4</sub> is reported based on x-ray photoelectron spectra (valence band and core levels), x-ray emission spectra (Fe Lα, Cu Lα, Cr Lα, S Kβ<sub>1,3</sub> and S L<sub>2,3</sub>) and ab initio TB-LMTO band structure calculations. In the valence band of FeCr<sub>2</sub>S<sub>4</sub>, the Fe 3d states are found to be more localized than the Cr 3d states, which dominate at the Fermi level. In Fe<sub>0.5</sub>Cu<sub>0.5</sub>Cr<sub>2</sub>S<sub>4</sub>, the distribution of Cr 3d (Cr<sup>3+</sup>) states is unchanged and the Cu ions were found to be in the Cu<sup>+</sup> state.
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