Related papers: Hund's physics extends to actinide f electron syst…
One year after their initial discovery, two schools of thought have crystallized regarding the electronic structure and magnetic properties of ferropnictide systems. One postulates that these are itinerant weakly correlated metallic systems…
We propose a way to identify strongly Hund-correlated materials by unveiling a key signature of Hund correlations at the two-particle level. The defining feature is the {\it sign} of the response of the {\it frozen spin ratio} (the…
Based on its condensed-matter properties, crystal structure, and metallurgy, which includes a phase diagram with six allotropic phases, plutonium is one of the most complicated pure elements in its solid state. Its anomalous properties,…
The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the…
The effect of the Hubbard interaction among conduction electrons on the double exchange model is investigated in a ferromagnetic metallic phase. Applying iterative perturbation theory to the Hubbard interaction within dynamical mean field…
The understanding of magnetic and electronic properties of rare-earth intermetallics is summarized. The properties of NdNi5 or ErNi5 are understood by considering a few electronic subsystems like the f electronic subsystem and the…
We study the interplay between Mott physics, driven by Coulomb repulsion U, and Hund physics, driven by Hund's coupling J, for a minimal model for Hund metals, the orbital-symmetric three-band Hubbard-Hund model (3HHM) for a lattice filling…
We studied the electronic structure of $\beta$-uranium, which has five non-equivalent atomic sites in its unit cell, by means of the density functional theory plus Hubbard-$U$ correction. We found that the 5$f$ electronic correlations in…
The interplay between band and atomic aspects in materials with co-existing wide-band and flat-band states, or wide-band and effectively dispersionless electronic states is increasingly expected to lead to novel behavior. Using dynamical…
A systematic first-principle study is performed to calculate the lattice parameters, electronic structure, and thermodynamic properties of UN using the local-density approximation (LDA)+\emph{U} and the generalized gradient approximation…
Metallic transition-metal nitrides (TMNs) are promising conductive ceramics for many applications, whose thermal transport is of great importance in device design. It is found metallic TiN and HfN hold anomalous thermal transport behaviors…
The impact of point defects on thermal transport in uranium nitride (UN) is investigated using a MLIP combined with Green-Kubo (GK) and normal mode analysis (NMA) methods over 300-1500 K. In pristine UN, temperature-dependent calculations…
Developing a comprehensive magnetic theory for correlated itinerant magnets poses challenges due to the difficulty in reconciling both local moments and itinerant electrons. In this work, we investigate the microscopic process of magnetic…
We report on the electronic and thermodynamic properties of the antiferromagnetic metal uranium mononitride with a N\'eel temperature $T_N\approx 53\,$K. The fabrication of microstructures from single crystals enables us to study the…
Actinide compounds with 5f electrons have been attracting much attention because of their interesting magnetic and electronic properties such as heavy fermion state, unconventional superconductivity, co-existence of the superconductivity…
In this work, we study the effects of a transverse magnetic field in a Kondo lattice model with two $f$ orbitals interacting with the conduction electrons. The $f$ electrons that are present on the same site interact through Hund's…
We define a general strategy for finding new heavy-fermionic materials without rare-earth elements: doping a Hund metal with pronounced orbital-selective correlations towards half-filling. We argue that in general band structures a possible…
In this paper I briefly overview recent theoretical and experimental advances in understanding of tunneling processes between normal metals and metals containing electrons which occupy partially filled f-orbitals. In heavy-fermion materials…
UTe2 is a rare example of a correlated quantum material in which unconventional density wave orders, Kondo physics, spin-triplet pairing, and reentrant superconductivity coexist within the same electronic system. Its superconducting state…
The bad-metal behavior of the iron pnictides has motivated a theoretical description in terms of a proximity to Mott localization. Since the parent compounds of the iron pnictides contain an even number of 3d-electrons per Fe, it is…