Related papers: Crystal field and magnetic structure of UO$_{2}$
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,…
The origin of non-collinear magnetic order in UO$_{2}$ is studied by an ab initio dynamical-mean-field-theory framework in conjunction with a linear-response approach for evaluating inter-site superexchange interactions between U 5$f^{2}$…
We use a recently developed optical fiber Bragg grating technique, in continuous and pulsed magnetic fields in excess of 90T, to study magnetoelastic correlations in magnetic materials at cryogenic temperatures. Both insulating UO2 and…
A first detailed study of the ground state of the H$_3^+$ molecular ion in linear configuration, parallel to a magnetic field direction, and its low-lying $\Si,\Pi,\De$ states is carried out for magnetic fields $B=0-4.414 \times 10^{13} $G…
We discuss the triple-$\vec{q}^X$ structures for the ordered cubic phase of NpO$_2$, which are $Pn{\bar 3}m$ and $Pa{\bar 3}$. A special care should be taken to discriminate between these two cases. We analyze the relevant structure-factor…
The electronic and magnetic properties of recently discovered new important constituent of the Earth's lower mantle FeO2H were investigated by means of the density functional theory combined with the dynamical mean field theory (DFT+DMFT).…
LiV_2 O_4 is one of the most puzzling compounds among transition metal oxides because of its heavy fermion like behavior at low temperatures. In this paper we present results for the orbital state and magnetic properties of LiV_2 O_4…
The results of the electronic structure calculations performed on SmN by using the LDA+U method with and without including the spin-orbit coupling are presented. Within the LDA+U approach, a N(2$p$) band polarization of $\simeq 0.3\ \mu_B$…
Using first principle calculations under the framework of density functional theory we have investigated the electronic structure, magnetism and ferroelectric polarization in the triangular lattice antiferromagnet AgFeO2, and its comparison…
We have performed an extensive test of the ability of density functional theory within several approximations for the exchange-correlation functional, local density approximation+Hubbard $U$ and local density approximation + dynamic mean…
KCoO2 has been found in 1975 to exist in a unique structure with P4/nmm spacegroup with Co in a square pyramidal coordination with the Co atoms in the plane linked by O in a square arrangement reminiscent of the cuprates but its electronic…
We investigate the electronic structure of the helium atom in a magnetic field b etween B=0 and B=100a.u. The atom is treated as a nonrelativistic system with two interactin g electrons and a fixed nucleus. Scaling laws are provided…
We consider electrons on a two-leg triangular ladder at half-filling and in an orbital magnetic field. In a two-band regime in the absence of the field, the electronic system remains conducting for weak interactions since there is no…
The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…
The electronic structure and magnetic properties of La_{1-x}A_{x}MnO_3 are investigated. It is assumed that, at the outermost layer, the environment of the Mn ions does not have cubic symmetry. The e_g orbitals are split and the double…
Using density functional theory and LDA+U method, we investigate magnetic and electronic structure of Y$_{2}$Ir$_{2}$O$_{7}$ and rare-earth based pyrochlore iridates. Our study reveals that the ground state is a non-collinear magnetic…
We report on crystal structure, magnetic and thermal physical properties of EuPd$_2$Sn$_4$ stannide. From the magnetic susceptibility measurements a divalent state of Eu rare earth element was determined together with an antiferromagnetic…
The delicate interplay of electronic charge, spin, and orbital degrees of freedom is in the heart of many novel phenomena across the transition metal oxide family. Here, by combining high- resolution angle resolved photoemission…
Chromium dioxide (CrO2) offers a rare example of metallic ferromagnetism among stoichiometric transition-metal oxides. What makes it even more remarkable is the half-metallic electronic structure. Today, CrO2 is widely used in…
A space-periodic ground state is shown to exist for lattices of point ions in $\R^3$ coupled to the Schr\"odinger and scalar fields. The coupling requires the renormalization of the selfaction because of the singularity of the Coulomb…