Magnetic interaction at an interface between manganite and other transition metal oxides

A general consideration is presented for the magnetic interaction at an interface between a perovskite manganite and other transition metal oxides. The latter is specified by the electron number $n$ in the $d_{3z^2-r^2}$ level as $(d_{3z^2-r^2})^n$. Based on the molecular orbitals formed at the interface and the generalized Hund's rule, the sign of the magnetic interaction is rather uniquely determined. The exception is when the $d_{3z^2-r^2}$ orbital is stabilized in the interfacial manganite layer neighboring to a $(d_{3z^2-r^2})^1$ or $(d_{3z^2-r^2})^2$ system. In this case, the magnetic interaction is sensitive to the occupancy of the Mn $d_{3z^2-r2}$ orbital. It is also shown that the magnetic interaction between the interfacial Mn layer and the bulk region can be changed. Manganite-based heterostructures thus show a rich magnetic behavior. We also present how to generalize the argument including $t_{2g}$ orbitals.Comment: 7pages, 4 figures, 1 tabl

Ferromagnetism and orbital order in a topological ferroelectric

We explore via density functional calculations the magnetic doping of a topological ferroelectric as an unconventional route to multiferroicity. Vanadium doping of the layered perovskite La$_{2}$Ti$_{2}$O$_{7}$ largely preserves electric polarization and produces robust ferromagnetic order, hence proper multiferroicity. The marked tendency of dopants to cluster into chains results in an insulating character at generic doping. Ferromagnetism stems from the symmetry breaking of the multi-orbital V system via an unusual "antiferro"-orbital order, and from the host's low-symmetry layered structure.Comment: 4 pages, 3 figures; Physical Review Letters 109, in print (2012

Electron Confinement, Orbital Ordering, and Orbital Moments in d0d^0-d1d^1 Oxide Heterostructures

The (SrTiO$_3$)$_m$/(SrVO$_3$)$_n$ $d^0-d^1$ multilayer system is studied with first principles methods through the observed insulator-to-metal transition with increasing thickness of the SrVO$_3$ layer. When correlation effects with reasonable magnitude are included, crystal field splittings from the structural relaxations together with spin-orbit coupling (SOC) determines the behavior of the electronic and magnetic structures. These confined slabs of SrVO$_3$ prefer $Q_{orb}$=($\pi,\pi$) orbital ordering of $\ell_z = 0$ and $\ell_z = -1$ ($j_z=-1/2$) orbitals within the plane, accompanied by $Q_{spin}$=(0,0) spin order (ferromagnetic alignment). The result is a SOC-driven ferromagnetic Mott insulator. The orbital moment of 0.75 $\mu_B$ strongly compensates the spin moment on the $\ell_z = -1$ sublattice. The insulator-metal transition for $n = 1 \to 5$ (occurring between $n$=4 and $n$=5) is reproduced. Unlike in the isoelectronic $d^0-d^1$ TiO$_2$/VO$_2$ (rutile structure) system and in spite of some similarities in orbital ordering, no semi-Dirac point [{\it Phys. Rev. Lett.} {\bf 102}, 166803 (2009)] is encountered, but the insulator-to-metal transition occurs through a different type of unusual phase. For n=5 this system is very near (or at) a unique semimetallic state in which the Fermi energy is topologically determined and the Fermi surface consists of identical electron and hole Fermi circles centered at $k$=0. The dispersion consists of what can be regarded as a continuum of radially-directed Dirac points, forming a "Dirac circle".Comment: 9 pages, 8 figure

Phase Competition in Ln0.5a0.5mno3 Perovskites

Single crystals of the systems Pr0.5(Ca1-xSrx)0.5MnO3, (Pr1-yYy)0.5(Ca1-xSrx)0.5MnO3, and Sm0.5Sr0.5MnO3 were grown to provide a series of samples with fixed ratio Mn(III)/Mn(IV)=1 having geometric tolerance factors that span the transition from localized to itinerant electronic behavior of the MnO3 array. A unique ferromagnetic phase appears at the critical tolerance factor tc= 0.975 that separates charge ordering and localized-electron behavior for t<tc from itinerant or molecular-orbital behavior for t>tc. This ferromagnetic phase, which has to be distinguished from the ferromagnetic metallic phase stabilized at tolerance factors t>tc, separates two distinguishable Type-CE antiferromagnetic phases that are metamagnetic. Measurements of the transport properties under hydrostatic pressure were carried out on a compositions t a little below tc in order to compare the effects of chemical vs. hydrostatic pressure on the phases that compete with one another near t=tc.Comment: 10 pages. To be publised in Phys. Rev.

No Indications of Axion-Like Particles From Fermi

As very high energy (~100 GeV) gamma rays travel over cosmological distances, their flux is attenuated through interactions with the extragalactic background light. Observations of distant gamma ray sources at energies between ~200 GeV and a few TeV by ground-based gamma ray telescopes such as HESS, however, suggest that the universe is more transparent to very high energy photons than had been anticipated. One possible explanation for this is the existence of axion-like-particles (ALPs) which gamma rays can efficiently oscillate into, enabling them to travel cosmological distances without attenuation. In this article, we use data from the Fermi Gamma Ray Space Telescope to calculate the spectra at 1-100 GeV of two gamma ray sources, 1ES1101-232 at redshift z=0.186 and H2356-309 at z=0.165, and use this in conjunction with the measurements of ground-based telescopes to test the ALP hypothesis. We find that the observations can be well-fit by an intrinsic power-law source spectrum with indices of -1.72 and -2.1 for 1ES1101-232 and H2356-309, respectively, and that no ALPs or other exotic physics is necessary to explain the observed degree of attenuation.Comment: 7 pages, 4 figures. v3: Matches published version, the analysis of H2356-309 is revised, no change in conclusion

t-J model of coupled Cu2_2O5_5 ladders in Sr14−x_{14-x}Cax_xCu24_{24}O41_{41}

Starting from the proper charge transfer model for Cu$_2$O$_5$ coupled ladders in Sr$_{14-x}$Ca$_x$Cu$_{24}$O$_{41}$ we derive the low energy Hamiltonian for this system. It occurs that the widely used ladder t-J model is not sufficient and has to be supplemented by the Coulomb repulsion term between holes in the neighboring ladders. Furthermore, we show how a simple mean-field solution of the derived t-J model may explain the onset of the charge density wave with the odd period in Sr$_{14-x}$Ca$_x$Cu$_{24}$O$_{41}$.Comment: 8 pages, 4 figures, 2 table

Exchange parameters from approximate self-interaction correction scheme

The approximate atomic self-interaction corrections (ASIC) method to density functional theory is put to the test by calculating the exchange interaction for a number of prototypical materials, critical to local exchange and correlation functionals. ASIC total energy calculations are mapped onto an Heisenberg pair-wise interaction and the exchange constants J are compared to those obtained with other methods. In general the ASIC scheme drastically improves the bandstructure, which for almost all the cases investigated resemble closely available photo-emission data. In contrast the results for the exchange parameters are less satisfactory. Although ASIC performs reasonably well for systems where the magnetism originates from half-filled bands, it suffers from similar problems than those of LDA for other situations. In particular the exchange constants are still overestimated. This reflects a subtle interplay between exchange and correlation energy, not captured by the ASIC.Comment: 10 page