2003
DOI: 10.1103/physrevb.68.195124
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Ir5dstate ofCuIr2S4:

Abstract: The Ir 5d state in CuIr 2 S 4 is investigated by using IrS 6 -cluster-model calculations for the Ir 4 f core-level and valence-band photoemission and bremsstrahlung isochromat spectra. The three experimental spectra are consistently reproduced in such a localized picture with a single parameter set of the model. The average d-d Coulomb energy between Ir 5d electrons in CuIr 2 S 4 is 3.5 eV smaller than those for 3d transition-metal oxides, while the hybridization between Ir 5d and S 3p orbitals is larger. This… Show more

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Cited by 11 publications
(6 citation statements)
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“…The energy difference between these two excitations represents the splitting between the empty e g and t 2g states and is found to be about 2.8 eV. This splitting is also consistent with the DFT and cluster model calculation value of about 2.6 eV [22,23] .…”
supporting
confidence: 86%
“…The energy difference between these two excitations represents the splitting between the empty e g and t 2g states and is found to be about 2.8 eV. This splitting is also consistent with the DFT and cluster model calculation value of about 2.6 eV [22,23] .…”
supporting
confidence: 86%
“…The beam was focused to a spot of 4 mm diameter. Figure 2 shows the Cu 2p spectrum of CuIr 2 S 4 taken at 300 K. The Cu 2p spectrum is similar to that reported previously [11,12,20]. The characteristic satellite structure, found in divalent Cu oxides such as CuO [21], is not observed in this spectrum.…”
supporting
confidence: 74%
“…The indication of MIT and the Ir 3+ /Ir 4+ charge ordering has been obtained on previous x-ray photoemission and absorption studies of CuIr 2 S 4 . [27,31,32,33,34,35] The Ir 4f core-level spectrum of the insulating phase has two components with large energy difference, consistent with the charge ordering of Ir sites. [27,35] In contrast, the core-level spectrum has not been changed against laser irradiation, while the resistivity is reduced.…”
Section: Introductionmentioning
confidence: 76%