Lieb-Mattis ferrimagnetism in diluted magnetic semiconductors

We show the possibility of long-range ferrimagnetic ordering with a saturation magnetisation of the order of 1 Bohr magneton per spin for arbitrarily low concentration of magnetic impurities in semiconductors, provided that the impurities form a superstructure satisfying the conditions of the Lieb-Mattis theorem. Explicit examples of such superstructures are given for the wurtzite lattice, and the temperature of ferrimagnetic transition is estimated from a high-temperature expansion. Exact diagonalization studies show that small fragments of the structure exhibit enhanced magnetic response and isotropic superparamagnetism at low temperatures. A quantum transition in a high magnetic field is considered and similar superstructures in cubic semiconductors are discussed as well.Comment: 6 pages,4 figure

Theoretical de Haas-van Alphen Data and Plasma Frequencies of MgB2 and TaB2

The de Haas-van Alphen-frequencies as well as the effective masses for a magnetic field parallel to the crystallographic c-axis are calculated within the local spin density approximation (LSDA) for MgB2 and TaB2. In addition, we analyze the plasma frequencies computed for each Fermi surface sheet. We find a large anisotropy of Fermi velocities in MgB2 in difference to the nearly isotropic behavior in TaB2. We compare calculations performed within the relativistic non-full potential augmented-spherical-wave (ASW) scheme and the scalar-relativistic full potential local orbital (FPLO) scheme. A significant dependence for small cross sections on the bandstructure method is found. The comparison with the first available experimental de Haas-van Alphen-data by Yelland et al. (Ref. 19) shows deviations from the electronic structure calculated within both L(S)DA approaches although the cross section predicted by FPLO are closer to the experimental data. The elucidation of the relevant many-body effects beyond the standard LDA is considered as a possible key problem to understand the superconductivity in MgB2.Comment: Typos corrected, 3references added. Extended and corrected version of S. Elgazzar et al., Solid State Comm. v. 121, 99 (2002). 7pages, 4figures, AIP Conference Proc. "Correlated Electron Systems and High-Tc Superconductors" (ed. F. Mancini) (October 2001, Salerno, Italy

Effect of Hund's exchange on the spectral function of a triply orbital degenerate correlated metal

We present an approach based on the dynamical mean field theory which is able to give the excitation spectrum of a triply degenerate Hubbard model with a Hund's exchange invariant under spin rotation. The lattice problem can be mapped onto a local Anderson model containing 64 local eigenstates. This local problem is solved by a generalized non-crossing approximation. The influence of Hund's coupling J is examined in detail for metallic states close to the metal insulator transition. The band-filling is shown to play a crucial role concerning the effect of J on the low energy dynamics.Comment: Phys. Rev. B (In Press

Anisotropic superexchange of a 90 degree Cu-O-Cu bond

The magnetic anisotropy af a rectangular Cu-O-Cu bond is investigated in second order of the spin-orbit interaction. Such a bond is characteristic for cuprates having edge sharing CuO_2 chains, and exists also in the Cu_3O_4 plane or in ladder compounds. For a ferromagnetic coupling between the copper spins an easy axis is found perpendicular to the copper oxygen plaquettes in agreement with the experimental spin structure of Li_2CuO_2. In addition, a pseudo-dipolar interaction is derived. Its estimation in the case of the Cu_3O_4 plane (which is present for instance in Ba_2Cu_3O_4Cl_2 or Sr_2Cu_3O_4Cl_2) gives a value which is however two orders of magnitude smaller than the usual dipole-dipole interaction.Comment: 6 pages, 2 figures, improved referenc

Planar spin exchange in LiNiO_2

We study the planar spin exchange couplings in LiNiO2 using a perturbative approach. We show that the inclusion of the trigonal crystal field splitting at the Oxygen sites leads to the appearance of antiferromagnetic exchange integrals in deviation from the Goodenough-Kanamori-Anderson rules for this 90 degree bond. That gives a microscopic foundation for the recently observed coexistence of ferromagnetic and antiferromagnetic couplings in the orbitally-frustrated state of LiNiO2. (F. Reynaud et al, Phys. Rev. Lett. 86, 3638 (2001))Comment: latex, revtex4, 6 pages, 3 figure

Electronic structure and Jahn-Teller effect in GaN:Mn and ZnS:Cr

We present an ab-initio and analytical study of the Jahn-Teller effect in two diluted magnetic semiconductors (DMS) with d4 impurities, namely Mn-doped GaN and Cr-doped ZnS. We show that only the combined treatment of Jahn-Teller distortion and strong electron correlation in the 3d shell may lead to the correct insulating electronic structure. Using the LSDA+U approach we obtain the Jahn-Teller energy gain in reasonable agreement with the available experimental data. The ab-initio results are completed by a more phenomenological ligand field theory.Comment: 15 pages, 5 figure

Wavelet-based directional analysis of the gravity field: evidence for large-scale undulations

International audienceIn the eighties, the analysis of satellite altimetry data leads to the major discovery of gravity lineations in the oceans, with wavelengths between 200 and 1400 km. While the existence of the 200 km scale undulations is widely accepted, undulations at scales larger than 400 km are still a matter of debate. In this paper, we revisit the topic of the large-scale geoid undulations over the oceans in the light of the satellite gravity data provided by the GRACE mission, considerably more precise than the altimetry data at wavelengths larger than 400 km. First, we develop a dedicated method of directional Poisson wavelet analysis on the sphere with significance testing, in order to detect and characterize directional structures in geophys-ical data on the sphere at different spatial scales. This method is particularly well suited for potential field analysis. We validate it on a series of synthetic tests, and then apply it to analyze recent gravity models, as well as a bathymetry data set independent from gravity. Our analysis confirms the existence of gravity undulations at large scale in the oceans, with characteristic scales between 600 and 2000 km. Their direction correlates well with present-day plate motion over the Pacific ocean, where they are particularly clear, and associated with a conjugate direction at 1500 km scale. A major finding is that the 2000 km scale geoid undulations dominate and had never been so clearly observed previously. This is due to the great precision of GRACE data at those wavelengths. Given the large scale of these undulations, they are most likely related to mantle processes. Taking into account observations and models from other geophysical information, as seismological tomography, convection and geochemical models and electrical conductivity in the mantle, we conceive that all these inputs indicate a directional fabric of the mantle flows at depth, reflecting how the history of subduction influences the organization of lower mantle upwellings

Magnetic Anisotropy of Co2+ as Signature of Intrinsic Ferromagnetism in ZnO:Co

We report on the magnetic properties of thoroughly characterized Zn1-xCoxO epitaxial thin films, with low Co concentration, x=0.003-0.005. Magnetic and EPR measurements, combined with crystal field theory, reveal that isolated Co2+ ions in ZnO possess a strong single ion anisotropy which leads to an "easy plane" ferromagnetic state when the ferromagnetic Co-Co interaction is considered. We suggest that the peculiarities of the magnetization process of this state can be viewed as a signature of intrinsic ferromagnetism in ZnO:Co materials.Comment: 4 pages, 4 figure