Related papers: Crystal field and magnetic structure of UO$_{2}$
The quantum dynamics of quasi-one-dimensional ring with varying electron filling factor is investigated in presence of external electric field. The system is modeled within Hubbard Hamiltonian with attractive Coulomb correlation, which…
The electronic structure of radially polarized excitons in structured nanorings is analyzed, with emphasis in the ground-state properties and their dependence under applied magnetic fields perpendicular to the ring plane. The electron-hole…
The local-density approximation combined with the dynamical mean-field theory (LDA+DMFT) is applied to the paramagnetic phase of light actinide dioxides: UO2, NpO2, and PuO2. The calculated band gaps and the valence-band electronic…
The electronic structure of UPd_2Al_3 is described using the self-interaction corrected local-spin-density approximation to density functional theory. The groundstate is found to be characterized by the coexistence of localized (f^2) and…
The magneto-electric (ME) coupling on spin-wave resonances in single-crystal Cu2OSeO3 was studied by a novel technique using electron spin resonance combined with electric field modulation. An external electric field E induces a magnetic…
Using a combination of density functional theory and dynamical mean field theory we show that electric polarization and magnetism are strongly intertwined in (TMTTF)$_2$-$X$ (X$=$PF$_6$, As$F_6$, and SbF$_6$) organic crystals and they…
The locally self-consistent real space multiple scattering technique has been applied to calculate the electronic structure and chemical binding for the c(2x2)O/Cu(001) system, as a function of $d_{O-Cu1}$ -- the height of oxygen above the…
First principle calculations were performed to study the ground state electronic properties of Barium titanate within the density functional theory (DFT). In our DFT computations, we used Vosko-Wilk-Nusair correlation energy functional and…
We have analysed the unusual electronic structure of Sr_2FeMoO_6 combining ab-initio and model Hamiltonian approaches. Our results indicate that there are strong enhancements of the intraatomic exchange strength at the Mo site as well as…
The electronic structure and magnetism of Sr$_2$CeIrO$_6$, an Ir-based double perovskite system has been investigated using first-principles calculations. We found that a strong spin-orbit coupling dictate the electronic and magnetic…
We employ the previously published neutron scattering experiments\cite{1,2,3} to suggest that Er$_2$Ti$_2$O$_7$ has a broken-symmetry multiple-{\bf q} state with tetragonal magnetic symmetry\cite{4}. The ordered moments do not appear to lie…
Fifteen parameters characterizing the crystal field of rare-earth ions in the RMO$_3$ perovskites (R = Pr, Nd, M = Ga, Co) are calculated by expanding the local Hamiltonian expressed in the basis of Wannier functions into a series of…
The magnetic and structural properties of polycrystalline Co$_{4-x}$ Ni$_x$ Nb$_2$ O$_9$ (x=1,2) have been investigated by neutron powder diffraction, magnetization and heat capacity measurements, and density functional theory (DFT)…
The two-dimensional Falicov-Kimball model in the presence of a perpendicular magnetic field is investigated by the dynamical mean-field theory. Within the model the interplay between electron correlations and the fine electron structure due…
We have shown that the V4+ ion with 1 d electron can have almost non-magnetic ground state under the action of the octahedral crystal field in the presence of the spin-orbit coupling and off-cubic distortions. Such the situation occurs in…
Recent experimental studies on Fe substituted spinel CoCr$_{2}$O$_{4}$ have discovered multiple functional properties in the system such as temperature and composition dependent magnetic compensation, tunable exchange bias and…
In the $AB_4Q_8$ lacunar spinels, the electronic structure is described on the basis of inter- and intra-cluster interactions of tetrahedral $B_4$ clusters, and tuning these can lead to myriad fascinating electronic and magnetic ground…
Altermagnetism is a topic that has lately been gaining attention and the RuO$_2$ compound is among one of the most studied altermagnetic candidates. However, the survey of available literature on RuO$_2$ properties suggests that there is no…
Our ultrasound results obtained in pulsed magnetic fields show that the filled-skutterudite compound SmOs$_4$Sb$_{12}$ has the $\Gamma_{67}$ quartet crystalline-electric-field ground state. This fact suggests that the multipolar degrees of…
We report magnetic properties of a 3d$^9$ (Cu$^{2+}$) magnetic insulator Cu2OSO4 measured on both powder and single crystal. The magnetic atoms of this compound form layers, whose geometry can be described either as a system of chains…