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Register a new userCoexistence of localized and itinerant electrons in BaFe2X3 (X = S and Se) revealed by photoemission spectroscopy
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We report a photoemission study at room temperature on BaFe2X3 (X = S and Se) and CsFe2Se3 in which two-leg ladders are formed by the Fe sites. The Fe 2p core-level peaks of BaFe2X3 are broad and exhibit two components, indicating that itinerant and localized Fe 3d sites coexist similar to KxFe2-ySe2. The Fe 2p core-level peak of CsFe2Se3 is rather sharp and is accompanied by a charge-transfer satellite. The insulating ground state of CsFe2Se3 can be viewed as a Fe2+ Mott insulator in spite of the formal valence of +2.5. The itinerant versus localized behaviors can be associated with the stability of chalcogen p holes in the two-leg ladder structure.
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Angle-resolved photoemission spectroscopy of Ca10(Ir4As8)(Fe2_xIrxAs2)5 shows that the Fe 3d electrons in the FeAs layer form the hole-like Fermi pocket at the zone center and the electron-like Fermi pockets at the zone corners as commonly seen in various Fe-based superconductors. The FeAs layer is heavily electron doped and has relatively good two dimensionality. On the other hand, the Ir 5d electrons are metallic and glassy probably due to atomic disorder related to the Ir 5d orbital instability. Ca10(Ir4As8)(Fe2_xIrxAs2)5 exhibits a unique electronic state where the Bloch electrons in the FeAs layer coexist with the glassy electrons in the Ir4As8 layer.
The electronic structure of the ferromagnetic superconductor URhGe in the paramagnetic phase has been studied by angle-resolved photoelectron spectroscopy using soft x rays (hn=595-700 eV). Dispersive bands with large contributions from U 5f states were observed in the ARPES spectra, and form Fermi surfaces. The band structure in the paramagnetic phase is partly explained by the band-structure calculation treating all U 5f electrons as being itinerant, suggesting that an itinerant description of U 5f states is a good starting point for this compound. On the other hand, there are qualitative disagreements especially in the band structure near the Fermi level (E_B < 0.5 eV). The experimentally observed bands are less dispersive than the calculation, and the shape of the Fermi surface is different from the calculation. The changes in spectral functions due to the ferromagnetic transition were observed in bands near the Fermi level, suggesting that the ferromagnetism in this compound has an itinerant origin.
Bulk-sensitive hard x-ray photoemission spectroscopy (HAXPES) reveals for as-grown epitaxial films of half-metallic ferromagnetic CrO2(100) a pronounced screening feature in the Cr 2p3/2 core level and an asymmetry in the O 1s core level. This gives evidence of a finite, metal-type Fermi edge, which is surprisingly not observed in HAXPES. A spectral weight shift in HAXPES away from the Fermi energy is attributed to single-ion recoil effects due to high energy photoelectrons. In conjunction with inverse PES the intrinsic correlated Mott-Hubbard-type electronic structure is unravelled, yielding an averaged Coulomb correlation energy Uav ~ 3.2 eV.
We investigate the electronic structure of a perovskite-type Pauli paramagnet SrMoO3 (t2g2) thin film using hard x-ray photoemission spectroscopy and compare the results to the realistic calculations that combine the density functional theory within the local-density approximation (LDA) with the dynamical-mean field theory (DMFT). Despite the clear signature of electron correlations in the electronic specific heat, the narrowing of the quasiparticle bands is not observed in the photoemission spectrum. This is explained in terms of the characteristic effect of Hunds rule coupling for partially-filled t2g bands, which induces strong quasiparticle renormalization already for values of Hubbard interaction which are smaller than the bandwidth. The interpretation is supported by additional model DMFT calculations including Hunds rule coupling, that show renormalization of low-energy quasiparticles without affecting the overall bandwidth. The photoemission spectra show additional spectral weight around -2 eV that is not present in the LDA+DMFT. We interpret this weight as a plasmon satellite, which is supported by measured Mo, Sr and Oxygen core-hole spectra that all show satellites at this energy.
Cerium (Ce)-based heavy-fermion materials have a characteristic double-peak structure (mid-IR peak) in the optical conductivity [$sigma(omega)$] spectra originating from the strong conduction ($c$)--$f$ electron hybridization. To clarify the behavior of the mid-IR peak at a low $c$-$f$ hybridization strength, we compared the $sigma(omega)$ spectra of the isostructural antiferromagnetic and heavy-fermion Ce compounds with the calculated unoccupied density of states and the spectra obtained from the impurity Anderson model. With decreasing $c$-$f$ hybridization intensity, the mid-IR peak shifts to the low-energy side owing to the renormalization of the unoccupied $4f$ state, but suddenly shifts to the high-energy side owing to the $f$-$f$ on-site Coulomb interaction at a slight localized side from the quantum critical point (QCP). This finding gives us information on the change in the electronic structure across QCP.
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