Modelling the Localized to Itinerant Electronic Transition in the Heavy Fermion System CeIrIn5

We address the fundamental question of crossover from localized to itinerant state of a paradigmatic heavy fermionmaterial CeIrIn5. The temperature evolution of the one electron spectra and the optical conductivity is predicted from first principles calculation. The buildup of coherence in the form of a dispersive many body feature is followed in detail and its effects on the conduction electrons and optical conductivity of the material is revealed. We find multiple hybridization gaps and link them to the crystal structure of the material. Our theoretical approach explains the multiple peak structures observed in optical experiments and the sensitivity of CeIrIn5 to substitutions of the transition metal element and may provide a microscopic basis for the more phenomenological descriptions currently used to interpret experiments in heavy fermion systems.Comment: 12 pages, 3 figure

Electronic structures of CeRu2X2_2X_2 (XX = Si, Ge) in the paramagnetic phase studied by soft X-ray ARPES and hard X-ray photoelectron spectroscopy

Soft and hard X-ray photoelectron spectroscopy (PES) has been performed for one of the heavy fermion system CeRu$_2$Si$_2$ and a $4f$-localized ferromagnet CeRu$_2$Ge$_2$ in the paramagnetic phase. The three-dimensional band structures and Fermi surface (FS) shapes of CeRu$_2$Si$_2$ have been determined by soft X-ray $h\nu$-dependent angle resolved photoelectron spectroscopy (ARPES). The differences in the Fermi surface topology and the non-$4f$ electronic structures between CeRu$_2$Si$_2$ and CeRu$_2$Ge$_2$ are qualitatively explained by the band-structure calculation for both $4f$ itinerant and localized models, respectively. The Ce valences in CeRu$_2X_2$ ($X$ = Si, Ge) at 20 K are quantitatively estimated by the single impurity Anderson model calculation, where the Ce 3d hard X-ray core-level PES and Ce 3d X-ray absorption spectra have shown stronger hybridization and signature for the partial $4f$ contribution to the conduction electrons in CeRu$_2$Si$_2$.Comment: 8figure

Direct experimental verification of applicability of single-site model for angle integrated photoemission of small TKT_{K} concentrated Ce compounds

Bulk-sensitive high-resolution Ce 4f spectra have been obtained from 3d $\to$ 4f resonance photoemission measurements on La$_{1-x}$Ce$_x$Al$_2$ and La$_{1-x}$Ce$_x$Ru$_2$ for $x = 0.0, 0.04, 1.0$. The 4f spectra of low-Kondo-temperature ($T_{K}$) (La,Ce)Al$_2$ are essentially identical except for a slight increase of the Kondo peak with $x$, which is consistent with a known increase of $T_{K}$ with $x$. In contrast, the 4f spectra of high-$T_{K}$ (La,Ce)Ru$_2$ show a Kondo-like peak and also a 0.5 eV structure which increases strongly with $x$. The resonance photon-energy dependences of the two contributions are different and the origin of the 0.5 eV structure is still uncertain.Comment: submitted to SCES 2001, two-columnn format, modified tex

Electron correlation in FeSe superconductor studied by bulk-sensitive photoemission spectroscopy

We have investigated the electronic structures of recently discovered superconductor FeSe by soft-x-ray and hard-x-ray photoemission spectroscopy with high bulk sensitivity. The large Fe 3d spectral weight is located in the vicinity of the Fermi level (EF), which is demonstrated to be a coherent quasi-particle peak. Compared with the results of the band structure calculation with local-density approximation, Fe 3d band narrowing and the energy shift of the band toward EF are found, suggesting an importance of the electron correlation effect in FeSe. The self energy correction provides the larger mass enhancement value (Z^-1=3.6) than in Fe-As superconductors and enables us to separate a incoherent part from the spectrum. These features are quite consistent with the results of recent dynamical mean-field calculations, in which the incoherent part is attributed to the lower Hubbard band.Comment: 8 pages, 5 figures, 1 talbl

Filling of the Mott-Hubbard gap in the high temperature photoemission spectrum of (V_0.972Cr_0.028)_2O_3

Photoemission spectra of the paramagnetic insulating (PI) phase of (V_0.972Cr_0.028)_2O_3, taken in ultra high vacuum up to the unusually high temperature (T) of 800 K, reveal a property unique to the Mott-Hubbard (MH) insulator and not observed previously. With increasing T the MH gap is filled by spectral weight transfer, in qualitative agreement with high-T theoretical calculations combining dynamical mean field theory and band theory in the local density approximation.Comment: 4 pages, 4 figure