Related papers: Hund's physics extends to actinide f electron syst…
Motivated by the recent discovery of superconductivity in infinite-layer nickelates RE$_{1-\delta}$Sr$_\delta$NiO$_2$ (RE$=$Nd, Pr), we study the role of Hund's coupling $J$ in a quarter-filled two-orbital Hubbard model which has been on…
Hund's coupling is shown to generally favor, in a doped half-filled Mott insulator, an increase in the compressibility culminating in a Fermi-liquid instability towards phase separation. The largest effect is found about the frontier…
The electronic structure of the antiferromagnet uranium nitride (UN) has been studied by angle resolved photoelectron spectroscopy using soft X-rays (hn=420-520 eV). Strongly dispersive bands with large contributions from the U 5f states…
Increasing experimental and theoretical evidence points towards a dual nature of the 5$f$ electrons in actinide-based strongly correlated metallic compounds, with some 5$f$ electrons being localized and others delocalized. In a recent paper…
The physics of weak itinerant ferromagnets is challenging due to their small magnetic moments and the ambiguous role of local interactions governing their electronic properties, many of which violate Fermi liquid theory. While magnetic…
Uranium compounds can manifest a wide range of fascinating many-body phenomena, and are often thought to be poised at a crossover between localized and itinerant regimes for 5f electrons. The antiferromagnetic dipnictide USb2 has been of…
It has been a great challenge to explore many-body effects in heavy fermion systems with $ab$-$initio$ approaches. We computed the electronic structure of UTe$_{2}$ without purposive judgements, such as intentional selection of on-site…
We study the emergence of quasiparticles in Hund's metals with an SU($M$)$\times$SU($N$)-symmetric Kondo impurity model carrying both spin and orbital degrees of freedom. We show that the coupling of the impurity spin to the conduction…
We investigate the antiferromagnetic heavy fermion superconductor UPd$_2$Al$_3$, employing angle-resolved photoemission spectroscopy to unravel the complex electronic structure of its U 5f electrons. We observe unexpected characteristics…
New insights into the microscopic origin of itinerant ferromagnetism were recently gained from investigations of electronic lattice models within dynamical mean-field theory (DMFT). In particular, it is now established that even in the…
We analyze multi-orbital Hubbard models describing Hund's metals, focusing on the ubiquitous occurrence of a charge instability, signalled by a divergent/negative electronic compressibility, in a range of doping from the half-filled Mott…
UCd$_{11}$ is an antiferromagnetic uranium intermetallic compound ($T_{\rm N}$ = 5.3K) with enhanced electron mass and uranium-uranium spacings nearly twice the Hill limit, suggesting a weakly hybridized 5$f$ electronic character. Various…
Intricate nature of magnetism in uranium-based Kondo lattices is a consequence of correlations between U-5$f$ and conduction electrons. Using linearized quasiparticle self-consistent GW plus dynamical mean-field theory, we demonstrate a…
Coexistence between ferromagnetic order and Kondo behavior has been observed in some uranium compounds. The underscreened Kondo lattice model can provide a possible description of this coexistence. Here we present a model of a lattice of…
Actinide elements, such as uranium and plutonium, and their compounds are best known as nuclear materials. When engineering optimal fuel materials for nuclear power, important thermophysical properties to be considered are melting point and…
Magnetic properties of uranium and neptunium compounds showing the coexistence of Kondo screening effect and ferromagnetic order are investigated within the Anderson lattice Hamiltonian with a two-fold degenerate $f$-level in each site,…
In this chapter the strength of electronic correlations in the normal phase of Fe-superconductors is discussed. It will be shown that the agreement between a wealth of experiments and DFT+DMFT or similar approaches supports a scenario in…
Based on geometry optimization and magnetic structure investigations within density functional theory, unique uranium nitride fluoride UNF, isoelectronic with UO2, is shown to present peculiar differentiated physical properties. Such…
In order to resolve the long-standing issue of how the itinerant ferromagnetism is affected by the lattice structure and Hund's coupling, we have compared various three-dimensional lattice structures in the single- and multiorbital Hubbard…
We present a systematical theoretical study on the transport properties of an archetypal family of Hund's metals, Sr$_2$RuO$_4$,Sr$_3$Ru$_2$O$_7$, SrRuO$_3$ and CaRuO$_3$, within the combination of first principles density functional theory…