相关论文: Electronic correlations of element cerium under hi…

Superconductivity develops from an attractive interaction between itinerant electrons that creates electron pairs which condense into a macroscopic quantum state--the superconducting state. On the other hand, magnetic order in a metal…

Hybridization between localized 4$f$ and itinerant 5$d$6$s$ states in heavy fermion compounds is a well-studied phenomenon and commonly captured by the paradigmatic Anderson model. However, the investigation of additional electronic…

The electronic energy structures and magnetic properties of layered superconductors $R$Ni$_2$B$_2$C, $R$Fe$_4$Al$_8$ and FeSe are systematically studied, by using the density functional theory (DFT). The calculations allowed us to reveal a…

The electronic structure of Ce2 is studied in a valence bond model with two 4f electrons localized at two cerium sites. It is shown that the low-lying energy spectrum of the simplest cerium chemical bond is determined by peculiarities of…

Recently discovered heavy fermion CeRh$_{2}$As$_{2}$ compound crystallizes in the nonsymmorphic $P4/nmm$ symmetry, which enables the occurrence of topological protection. Experimental results show that this material exhibits unusual…

Materials in which electrons occupy interstitial sites as anions are called electrides and exhibit unusual dimensionality-dependent electronic behavior. These properties make electrides attractive for catalysis, transparent conductors, and…

Fe-based superconductors have drawn much attention during the last decade due to the finding of superconductivity in materials containing the magnetic element, Fe, and the coexistence of superconductivity & magnetism. Extensive study of the…

We present the results of self-consistent calculations of the electronic shell and supershell structure for clusters having up to 6000 valence electrons. The ionic background is described in terms of a homogeneous jellium. The calculations…

Locally noncentrosymmetric CeRh$_{2}$As$_{2}$ exhibits characteristic two-phase unconventional $H$--$T$ superconducting phase diagram. The transition from even- to odd-parity superconducting phase is supported by the P4/nmm crystal…

The electronic structure of fluorite crystals are studied by means of density functional theory within the local density approximation for the exchange correlation energy. The ground-state electronic properties, which have been calculated…

This comment clarifies the mixed definition of the cerium valence in the article entitled: Quantitative study of the $f$ occupation in CeMIn5 and other cerium compounds with hard X-rays, published in Journal of Electron Spectroscopy and…

The equation of state, structural behavior and phase stability of {\alpha}-uranium have been investigated up to 1.3 TPa using density functional theory, adopting a simple description of electronic structure that neglects the spin-orbit…

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 present results of all-electron electronic structure calculations for the recently discovered d electron heavy fermion compound LiV_2O_4. The augmented spherical wave calculations are based on density functional theory within the local…

We theoretically analyze the surface density of states of heavy fermion materials such as CeCoIn$_5$. Recent experimental progress made it possible to locally probe the formation of heavy quasi-particles in these systems via scanning…

Combining strong electron correlations [1-4] and nontrivial electronic topology [5] holds great promise for discovery. So far, this regime has been rarely accessed and systematic studies are much needed to advance the field. Here we…

When floating on a two-dimensional (2D) surface of superfluid $^{4}$He, electrons arrange themselves in 2D crystalline structure known as Wigner crystal. In channels, the boundaries interfere the crystalline order and in case of very narrow…

The debate whether uranium 5f electrons are closer to being localized or itinerant in the ferromagnetic compound UGa2 is not yet fully settled. The experimentally determined magnetic moments are large, approximately 3 Bohr magnetons,…

Elements of group I in the Periodic table have valence electrons of s-type and are usually considered as simple metals. Crystal structures of these elements at ambient pressure are close-packed and high-symmetry of bcc and fcc types,…

Density-functional calculations are presented for high-pressure structural phases of S and Se. The structural phase diagrams, phonon spectra, electron-phonon coupling, and superconducting properties of the isovalent elements are compared.…