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Resonant inelastic X-ray scattering study of electronic excitations in insulating K$$_{0.83}$$Fe$$_{1.53}$$Se$$_2$$

Gretarsson, H.*; Nomura, Takuji; Jarrige, I.*; Lupascu, A.*; Upton, M. H.*; Kim, J.*; Casa, D.*; Gog, T.*; Yuan, R. H.*; Chen, Z. G.*; Wang, N. L.*; Kim, Y.-J.*

We report an Fe $$K$$-edge resonant inelastic X-ray scattering (RIXS) study of K$$_{0.83}$$Fe$$_{1.53}$$Se$$_2$$. This material is an insulator, unlike many parent compounds of iron-based superconductors. We found a sharp excitation around 1 eV, which is resonantly enhanced when the incident photon energy is tuned near the pre-edge region of the absorption spectrum. The spectral weight and line shape of this excitation exhibit clear momentum dependence. In addition, we observe momentum-independent broad interband transitions at higher excitation energy of 3-7 eV. Calculations based on a 70 band $$dp$$ orbital model, using a moderate $$U_{rm eff}$$ = 2.5 eV, indicate that the 1 eV feature originates from the correlated Fe 3$$d$$ electrons, with a dominant $$d_{xz}$$ and $$d_{yz}$$ orbital character. We find that a moderate $$U_{rm eff}$$ yields a satisfying agreement with the experimental spectra, suggesting that the electron correlations in the insulating and metallic iron based superconductors are comparable.

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Category:Materials Science, Multidisciplinary

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