Magnetic monopoles and unusual transport effects in magnetoelectrics

It is argued that in magnetoelectrics with diagonal magnetoelectric coupling there should be a monopole-like distribution of magnetization around electric charge. It may lead to nontrivial transport properties of such materials, to understand which the picture of magnetic monopoles attached to electric charges may be very useful.Comment: 6 pages, 4 fugure

Covalent bonds against magnetism in transition metal compounds

Magnetism in transition metal compounds is usually considered starting from a description of isolated ions, as exact as possible, and treating their (exchange) interaction at a later stage. We show that this standard approach may break down in many cases, especially in $4d$ and $5d$ compounds. We argue that there is an important intersite effect -- an orbital-selective formation of covalent metal-metal bonds, which leads to an "exclusion" of corresponding electrons from the magnetic subsystem, and thus strongly affects magnetic properties of the system. This effect is especially prominent for noninteger electron number, when it results in suppression of the famous double exchange, the main mechanism of ferromagnetism in transition metal compounds. We study this novel mechanism analytically and numerically and show that it explains magnetic properties of not only several $4d-5d$ materials, including Nb$_2$O$_2$F$_3$ and Ba$_5$AlIr$_2$O$_{11}$, but can also be operative in $3d$ transition metal oxides, e.g. in CrO$_2$ under pressure. We also discuss the role of spin-orbit coupling on the competition between covalency and magnetism. Our results demonstrate that strong intersite coupling may invalidate the standard single-site starting point for considering magnetism, and can lead to a qualitatively new behaviour

Jahn-Teller distortions and charge, orbital and magnetic orders in NaMn7O12

With the use of the band structure calculations we demonstrate that previously reported [Nat. Materials {\bf 3}, 48 (2004)] experimental crystal and magnetic structures for NaMn$_7$O$_{12}$ are inconsistent with each other. The optimization of the crystal lattice allows us to predict a new crystal structure for the low temperature phase, which is qualitatively different from the one presented before. The AFM-CE type of the magnetic order stabilizes the structure with the elongated, not compressed Mn$^{3+}_B$O$_6$ octahedra, striking NaMn$_7$O$_{12}$ out of the list of the anomalous Jahn-Teller systems. The orbital correlations were shown to exist even in the cubic phase, while the charge order appears only in the low temperature distorted phase.Comment: 5 page

Orbital ordering in the ferromagnetic insulator Cs2_2AgF4_4 from first principles

We found, using density-functional theory calculations within the generalized gradient approximation, that Cs$_2$AgF$_4$ is stabilized in the insulating orthorhombic phase rather than in the metallic tetragonal phase. The lattice distortion present in the orthorhombic phase corresponds to the $x^2-z^2$/$y^2-z^2$ hole-orbital ordering of the Ag$^{2+}$ $4d^9$ ions, and this orbital ordering leads to the observed ferromagnetism, as confirmed by the present total-energy calculations. This picture holds in the presence of moderate 4d-electron correlation. The results are compared with the picture of ferromagnetism based on the metallic tetragonal phase.Comment: 5 pages, 4 figures, 1 table; a few energy/moment entries in Table I are corrected due to a proper treatment of the Ag 4s semicore stat

Role of Orbitals in the Physics of Correlated Electron Systems

Rich properties of systems with strongly correlated electrons, such as transition metal oxides, is largely connected with an interplay of different degrees of freedom in them: charge, spin, orbital ones, as well as crystal lattice. Specific and often very important role is played by orbital degrees of freedom. In this comment I will shortly summarize the main concepts and discuss some of the well-known manifestations of orbital degrees of freedom, but will mostly concentrate on a recent development in this field.Comment: To be published in "Comments on Solid State Physics", part of "Physica Scripta

Interplay between orbital ordering and lattice distortions in LaMnO3, YVO3, and YTiO3

We have studied the interplay between orbital ordering, Jahn-Teller and GdFeO3-type lattice distortions in perovskite-type transition-metal oxides using model Hartree-Fock calculations. It has been found that the covalency between A-site cations and oxygens causes interaction between the Jahn-Teller and GdFeO3-type distortions. The present calculations explain why the d-type Jahn-Teller distortion and orbital ordering compatible with it are realized in LaMnO3, YVO3 and YTiO3Comment: 5 pages, 8 figure