相关论文: Strong Correlations in Actinide Redox Reactions

The electronic structures of several actinide solid systems are calculated using the self-interaction corrected local spin density approximation. Within this scheme the $5f$ electron manifold is considered to consist of both localized and…

Emergent phenomena at interfaces between oxides and metals can appear due to charge transfer and mass transport that modify the bulk properties. By coating the metallic oxide LaNiO$_3$ by aluminium, we fabricated a junction exhibiting a…

The low-lying n(=3,4,5)d $^2D_{5/2}$ states alkaline earth ions are of vital importance in a number of different physical applications. The hyperfine structure constants of these states are characterized by unusually strong electron…

Stabilizing high-valent redox couples and exotic electronic states necessitate an understanding of the stabilization mechanism. In oxides, whether they are being considered for energy storage or computing, highly oxidized oxide-anion…

The full potential all electron linearized augmented plane wave plus local orbitals (FP-LAPW + lo) method, as implemented in the suite of software WIEN2K, has been used to systematically investigate the structural, electronic, and magnetic…

Electronic correlations and spin-orbit interactions in plutonium create variations in the bonding behavior of each of its allotropes. In $\delta$-Pu, the 5f electrons lie at the tipping point between itinerant and localized behavior which…

The effect of conduction electron interactions for an Anderson impurity is investigated in one dimension using a scaling approach. The flow diagrams are obtained by solving the renormalization group equations numerically. It is found that…

Biredox ionic liquids are a new class of functionalized electrolytes that may play an important role in future capacitive energy storage devices. By allowing additional storage of electrons inside the liquids, they can improve device…

The nuclear waste problem is one of the main interests of the rare earth and actinide elements chemistry. Studies of Actinide-containing compounds are at the frontier of the applications of current theoretical methods due to the need to…

We have elucidated the nature of the electron correlation effect in uranium compounds by imaging the partial $\mathrm{U}~5f$ density of states (pDOS) of typical itinerant, localized, and heavy fermion uranium compounds by using the…

Superconductivity and magnetism are usually the conflicting (competing) phenomena. We show, however, that in nanoscopic objects the electron pairing may promote the magnetic ordering. Such situation is possible at low temperatures in the…

In order to promote our basic understanding on the Kondo behavior recently observed in europium compounds, we analyze an impurity Anderson model with seven $f$ electrons at an impurity site by employing a numerical renormalization group…

The reaction systems, 64Zn + 58Ni, 64Zn + 92Mo, 64Zn + 197Au, at 26A, 35A and 47A MeV, have been studied both in experiments with a 4$\pi$ detector array, NIMROD, and with Antisymmetrized Molecular Dynamics model calculations employing…

Relativistic close coupling calculations are reported for unified electronic recombination of (e + C IV) including non-resonant and resonant recombination processes, radiative and dielectronic recombination (RR and DR). Detailed comparison…

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…

We show that the low energy behaviour of quite diverse impurity systems can be described by a single renormalized Anderson model, with three parameters, an effective level $\tilde\epsilon_d$, an effective hybridization $\tilde V$, and a…

In order to trace the initial interaction in ultra-relativistic heavy ion collision in all azimuthal directions, two azimuthal multiplicity-correlation patterns -- neighboring and fixed-to-arbitrary angular-bin correlation patterns -- are…

Ionization potentials, excitation energies, transition properties, and hyperfine structure constants of the low-lying $3p^6 3d^{9} \ ^2D_{5/2}$, $3p^6 3d^{9} \ ^2D_{3/2}$, $3p^5 3d^{10} \ ^2P_{3/2}$ and $3p^5 3d^{10} \ ^2P_{1/2}$ atomic…

Polycrystalline samples of A$_x$V$_2$Al$_{20}$ (A = Ce, Th, U, Np, Pu; 0.7 =< x =< 1.0) actinide intermetallics were synthesized using the arc-melting method. Crystal structure studies were performed by means of powder x-ray diffraction and…

Interactions of Cn (element 112) atoms with small Au clusters are studied using accurate ab initio scalar relativistic coupled cluster method for correlation treatment and two-component relativistic density functional theory (RDFT) to…