Related papers: Pressure-driven 4$f$ localized-itinerant crossover…
Cerium, in which the 4$f$ valence electrons live at the brink between localized and itinerant characters, exhibits varying crystal structures and therefore anomalous physical properties with respect to temperature and pressure.…
The electronic structures of cerium-based ternary 122 compounds Ce$M_{2}$Si$_{2}$, where $M =$ Ru, Rh, Pd, and Ag, are investigated systematically by using the density functional theory in combination with the single-site dynamical…
The electronic structures of element cerium under high pressure remain unclear all the time. We tried to calculate the electronic structures of $\alpha'$, $\alpha"$, and $\epsilon$-Ce which only exist in the presence of pressure, by using…
The localized-to-itinerant transition of f electrons lies at the heart of heavy-fermion physics, but has only been directly observed in single-layer Ce-based materials. Here, we report a comprehensive study on the electronic structure and…
A combination of the density functional theory and the single-site dynamical mean-field theory is employed to study the pressure dependence of electronic structure for cubic phase californium. We predict that its 5$f$ electrons could…
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…
In order to unveil the 4f electronic structures in cerium monopnictides (CeX, where X = N, P, As, Sb, and Bi), we employed a state-of-the-art first-principles many-body approach, namely the density functional theory in combination with the…
Using the state-of-art dynamical mean-field theory combined with density functional theory method, we have performed systematic study on the temperature and pressure dependent electronic structure of ferromagnetic quantum critical material…
A review is given of pressure induced valence transitions in f-electron systems calculated with the self-interaction corrected local spin density (SIC-LSD) approximation. These calculations show that the SIC-LSD is able to describe valence…
The valence state of Ce in a canonical heavy fermion compound CeRu2Si2 has been investigated by synchrotron X-ray absorption spectroscopy at 1.8 K in high magnetic fields of up to 40 T. The valence was slightly larger than for the pure…
We systemically investigate the nature of Ce 4f electrons in structurally layered heavy-fermion compounds CcmMnIn3m+2n (with M =Co, Rh, Ir, and Pt, m=l, 2, n=0 - 2), at low temperature using on-resonance angle-resolved photoemission…
Heavy fermion materials gain high electronic masses and expand Fermi surfaces when the high-temperature localized f electrons become itinerant and hybridize with the conduction band at low temperatures. However, despite the common…
X-ray powder diffraction and electrical resistivity measurements were performed on the tetragonal compound CeCoSi under pressure to elucidate the phase boundary of the pressure-induced structural transition and the change in the 4$f$…
We investigated CeNi9In2 compound, which has been considered as a mixed valence (MV) system. Electrical resistivity vs. temperature variation was analysed in terms of the model proposed by Freimuth for systems with unstable 4f shell. At low…
The heavy fermion properties are reviewed on selected examples often studied in Grenoble. The physical problems are presented as example of exotic matter at low temperature with three major insights: the localisation of the 4f electrons,…
Pressure-induced magnetic quantum phase transition of CeRhIn$_5$ is described from first principles based on a realistic Kondo lattice model. Simulations of CeRhIn$_5$ above ambient pressure up to P=5 [GPa] show that it is driven from an…
Ubiquity of unconventional phenomena observed in a series of heavy fermion metals is discussed on the basis of an idea of critical valence fluctuations. After surveying experimental aspects of these unconventional behaviors in prototypical…
It is demonstrated that itinerant-localized transition of heavy electrons occurs inside the magnetically ordered phase of the Kondo-Heisenberg lattice. The phase diagram and electronic structure are derived by means of the continuous-time…
CeOs$_4$Sb$_{12}$, a member of the skutterudite family, has an unusual semimetallic low-temperature $\cal{L}$-phase that inhabits a wedge-like area of the field $H$ - temperature $T$ phase diagram. We have conducted measurements of…
Transport properties of Ce$_{0.85}$F0.15SbS$_{2}$ and undoped CeOSbS$_{2}$ under high pressure were investigated experimentally and theoretically. Electrical resistivity measurements of the Ce$_{0.85}$F0.15SbS$_{2}$ single crystals were…