相关论文: Correlation effects in p-electron magnets: the cas…

To sum up, we show in the present paper that magnetic response in Nb$_2$O$_2$F$_3$ at the high-temperatures ($T>$90 K) is related to the orbital selective regime, when part of the electrons form molecular orbitals while other electrons have…

Rubidium superoxide, RbO_2, is a rare example of a solid with partially-filled electronic p states, which allows to study the interplay of spin and orbital order and other effects of strong electronic correlations in a material that is…

The study of the strength of correlations in Na$_x$CoO$_2$ is extended to the x=0 end of the phase diagram where Mott insulating behavior has been widely anticipated. Inclusion of correlation as modeled by the LDA+U approach leads to a Mott…

We have performed an all-electron fully relativistic density functional calculation to study the magnetic properties of FeBr2. We show for the first time that the correlation effect enhances the contribution from orbital degrees of freedom…

Alkali superoxides differ from conventional transition metal magnets, exhibit magnetism from partially occupied oxygen molecular $\pi^*$-orbitals. Among them, CsO$_2$ stands out for its potential to exhibit novel quantum collective…

We report the synthesis and properties of two new insulating phases of SrFeO3-d with introduction of oxygen deficiencies in metallic SrFeO3 ; one with 0.15 < d < 0.19 (sample A)and the other above d = 0.19 (sample B). Sample A shows large…

The electronic structure of CrO_2 is critically discussed in terms of the relation of existing experimental data and well converged LSDA and GGA calculations of the electronic structure and transport properties of this half metal magnet,…

The behaviour of electrical resistivity ($\rho$) and magnetoresistance in the vicinity of respective magnetic ordering temperatures in a number of Gd alloys is reported. In some compounds, e.g., GdNi_2Sn_2 and GdPt_2Ge_2, there is an…

The occurence of spin-polarization at ZrO$_{2}$, Al$_{2}$O$_{3}$ and MgO surfaces is proved by means of \textit{ab-initio} calculations within the density functional theory. Large spin moments, as high as 1.56 $\mu_B$, develop at O-ended…

Electron correlations tend to generate local magnetic moments that usually order if the lattices are not too frustrated. The hexagonal compound SrRu$_2$O$_6$ has a relatively high Neel temperature but small local moments, which seem to be…

We studied the electronic properties of beta-platinum dioxide ({\beta}-PtO2), a catalytic material, based on density functional theory. Using the GGA+U method which reproduces the GW band structures and the experimental structural…

We present a numerical treatment of a spin-orbital polaron model for Na_xCoO_2 at small hole concentration (0.7 < x < 1). We demonstrate how the polarons account for the peculiar magnetic properties of this layered compound: They explain…

Time reversal symmetry and magnetoelastic correlations are probed by means of high-resolution volume dilatometry in URu2Si2 at cryogenic temperatures and magnetic fields more than enough to suppress the hidden order state at H_HO(T = 0.66…

We report on a study of various RVO3 single-crystal samples (R = La, Nd, Sm, Gd, Er and Y) which show temperature-induced magnetization reversal. For compounds with lighter rare-earths (R = La, Nd and Sm), magnetization reversal can be…

We have carried out dc magnetization (M), heat-capacity (C) and dielectric studies down to 2K for the compound GdCrTiO5, crystallizing in orthorhombic Pbam structure, in which well-known multiferroics RMn2O5 (R= Rare-earths) form. The…

The effect of oxygen content on the magnetic properties of the layered perovskites has been investigated. The samples, PrBaCo$_{2}$O$_{5+\delta}$ (0.35 $\leq \delta \leq$ 0.80) were prepared by sol-gel method and characterized by X-ray…

The RPO4 orthophosphates (R = rare earth element) have recently attracted a wide interest due to the strong coupling between their electronic, orbital and structural ordering parameters resulting in a variety of functional properties.…

We have investigated magnetocaloric effect in double perovskite Gd2NiMnO6 (GNMO) and Gd2CoMnO6 (GCMO) samples by magnetic and heat capacity measurements. Ferromagnetic ordering is observed at ~130 K (~112 K) in GNMO (GCMO), while the Gd…

We carry out a detailed study of the role of electronic interaction on $p$ oxygen orbitals in a Mott insulator oxide (UO$_2$) and a charge transfer oxide (TiO$_2$). First, we calculate values of effective interactions \Uff, \Upp{} and…

This paper reports on the spin glass-like coexistence of competing magnetic orders in oxygen-deficient V2O5 nanoparticles having a broad size distribution. X-ray photoelectron spectroscopy yields the surface chemical stoichiometry of nearly…