Related papers: The 3d-electron states in FeBr2
The electronic structures of Fe-doped III-V semiconductors were studied by first-principles supercell calculation. It was found that their electronic structures are basically the same as those of Mn-doped ones except that the extra electron…
The effects of interactions in a 2D electron system in a strong magnetic field of two degenerate Landau levels with opposite spins and at filling factors 1/2 are studied. Using the Chern-Simons gauge transformation, the system is mapped to…
We have calculated the band-$f$ hybridizations for Ce$_x$La$_{1-x}$M$_3$ compounds ($x=1$ and $x\rightarrow 0$; M=Pb, In, Sn, Pd) within the local density approximation and fed this into a non-crossing approximation for the Anderson…
The local environment of Gd3+ (4f7 S=7/2) ions in single crystals of Ca1-xGdxB6 (0.0001 < x < 0.01) is studied by means of Electron Spin Resonance (ESR). The spectra for low concentration samples (x < 0.001) show a split spectrum due to…
We present an analytically solvable model of $P$ colinear, two-dimensional quantum dots, each containing two electrons. Inter-dot coupling via the electron-electron interaction gives rise to sets of entangled ground states. These ground…
Two-dimensional (2D) electrides are a new concept material in which anionic electrons are confined in the interlayer space between positively charged layers. We have performed angle-resolved photoemission spectroscopy measurements on…
We studied the local Ru 4d electronic structure of alpha-RuCl3 by means of polarization dependent x-ray absorption spectroscopy at the Ru-L2,3 edges. We observed a vanishingly small linear dichroism indicating that electronically the Ru 4d…
We investigate the half-filled two-orbital Hubbard model with the crystalline electric field using dynamical mean-field theory combined with the continuous-time quantum Monte Carlo simulations. We systematically study how the interplay of…
We study theoretically the electron states in a system of two vertically stacked quantum dots. We investigate the influence of the geometrical symmetry breaking (caused by the displacement as well as the ellipticity of the dots) on the…
The electronic band structure of crystals is generally influenced by the periodic arrangement of their constituent atoms. Specifically, the emerging two-dimensional (2D) layered structures have shown different band structures with respect…
We investigate the electronic and structural properties of CuO, which shows significant deviations from the trends obeyed by other transition-metal monoxides. Using an extended Hubbard corrective functional, we uncover an orbitally ordered…
We study the structural and electronic properties of phase III of solid hydrogen using accurate many-electron theories and compare to state-of-the-art experimental findings. The atomic structures of phase III modelled by C2/c-24 crystals…
In this work, we analyze the fundamental question of what is the ensemble ground state of a general, finite, many-electron system at zero temperature, with a given, possibly fractional, electron number $N_{tot}$ and a given $z$-projection…
We study the two-body problem for two-dimensional electron systems in a symmetrized Bernevig-Hughes-Zhang model which is widely used to describe topological and conventional insulators. The main result is that two interacting electrons can…
We study a simple model for $f$-electron systems, the three-dimensional periodic Anderson model, in which localized $f$ states hybridize with neighboring $d$ states. The $f$ states have a strong on-site repulsion which suppresses the double…
With density functional theory plus dynamical mean-field theory, we study the influence of Hund's coupling on the nature of electronic correlations in $\mathrm{Sr_2CoO_4}$. Our results suggest strong signatures of Hund's metal physics in…
In this paper a model for $3d$-subsystem of transition $3d$-metals has been proposed and used for calculation of the cohesive energy dependent on $3d$-band filling of particular metal, its bandwidth and effective intra-atomic interaction…
The Kondo lattice model plays a key role in our understanding of quantum materials, but a lack of small parameters has posed a long-standing problem. We present a 3 dimensional S= 1/2 Kondo lattice model describing a spin liquid within an…
We have performed full configuration interaction computations of the ground states of the molecules Be, BeH_2, Li, LiH, B, and BH and verified that the core electrons constitute "separated electron pairs." These separated pairs of core…
One can confine the two-dimensional electron gas in semiconductor heterostructures electrostatically or by etching techniques such that a small electron island is formed. These man-made ``artificial atoms'' provide the experimental…