相关论文: Orbital collapse and dual states of the $5g$ elect…
NbTe$_4$ undergoes multiple charge density wave transitions that have attracted great interest in this material for decades. Previous work has shown that the crystal obtains the space group P4/ncc (130) at temperatures below 50K which…
Spin-orbit coupling of as large as a half eV for electrons in 5$d$ orbitals often gives rise to the formation of spin-orbital entangled objects, characterized by the effective total angular momentum $J_{eff}$. Of particular interest are the…
We present perturbative charged rotating 5D Einstein-Maxwell black holes with spherical horizon topology. The electric charge Q is the perturbative parameter, the perturbations being performed up to 4th order. The expressions for the…
The fractional quantum Hall effect (FQHE) in the second orbital Landau level at filling factor 5/2 remains enigmatic and motivates our work. We consider the effect of the quasi-2D nature of the experimental FQH system on a number of FQH…
In this study, we derive the non-relativistic Hamiltonian for electrons within the Schwarzschild metric from covariant Dirac equations, using both the weak field approximation and the Foldy-Wouthuysen transformation. This Hamiltonian…
The electronic structure of BaFe$_2X_3$ ($X$ = S and Se) and CsFe$_2$Se$_3$ in which two-leg ladders are formed by the Fe sites are studied by means of x-ray absorption and resonant inelastic x-ray scattering spectroscopy. The x-ray…
Jellium model achieved great success in predicting stable clusters with closed electronic shells and zero spin. In order to explain the stability of open shell clusters, it is necessary to consider the case of non-degenerate energy levels.…
A double-exchange mechanism for the emergence of ferromagnetism in cubic uranium compounds is proposed on the basis of a $j$-$j$ coupling scheme. The idea is {\it orbital-dependent duality} of $5f$ electrons concerning itinerant…
In this paper we report on internal conversion coefficients for Z = 111 to Z = 126 superheavy elements obtained from relativistic Dirac-Fock (DF) calculations. The effect of the atomic vacancy created during the conversion process has been…
Layered oxide heterostructures are the new routes to tailor desired electronic and magnetic phases emerging from competing interactions involving strong correlation, orbital hopping, tunnelling and lattice coupling phenomena. Here, we…
The Dirac equation for an electron in a finite dipole potential has been studied within the method of linear combination of atomic orbitals (LCAO). The Coulomb potential of the nuclei that compose a dipole is regularized, by considering the…
In strongly correlated electronic systems, several novel physical properties are induced by the orbital degree of freedom. In particular, orbital degeneracy near the Fermi level leads to spontaneous symmetry breaking, such as the nematic…
The silver fluoride Ag$_3$F$_5$ consists structurally of square-planar units formed by four fluoride ions coordinated to a central silver ion, which possesses a partially filled $d$-subshell and the formal valence of +5/3. In this study, we…
Group IV heavy elements atomic layers are expected to show an interesting physical properties due to their large spin-orbit coupling (SOC). Using density functional theory (DFT) calculations with/without SOC we investigate the variation of…
In electronic solids with strong spin-orbit interactions (SOIs), the spin and orbital degrees of freedom of an electron are quantum mechanically entangled, which may result in an exotic multipolar order instead of a conventional dipolar…
The spdf-based orbital theory is a sophism. Things must be declared "different" at the electronic level to renounce classical physics. This paper shows that classical physics still operates at the electronic level! Electron particles are…
The iron-based superconductors allow for a zoo of possible order parameters due to their orbital degrees of freedom. These order parameters are often written in an orbital basis, as this allows to distinguish their different symmetry.…
Metals typically have multiple Fermi surface sheets, and when they enter the superconducting state, some electrons on these sheets may remain uncondensed, or their superconducting pairs can be rapidly destroyed by a magnetic field.…
The existence of macroscopic shell structure of submicron metal clusters is known for several decades. Since the most studies provide theoretical analysis for clusters of spherical shape, the electron density inhomogeneities caused by shell…
The current work presents a natural orbital functional (NOF) for electronic systems with any spin value independent of the external potential being considered, that is, a global NOF (GNOF). It is based on a new two-index reconstruction of…