Coulomb Correlations and Magnetic Anisotropy in ordered L10L1_0 CoPt and FePt alloys

We present results of the magneto-crystalline anisotropy energy (MAE) calculations for chemically ordered $L1_0$ CoPt and FePt alloys taking into account the effects of strong electronic correlations and spin-orbit coupling. The local spin density + Hubbard U approximation (LSDA+U) is shown to provide a consistent picture of the magnetic ground state properties when intra-atomic Coulomb correlations are included for both 3$d$ and 5$d$ elements. Our results demonstrate significant and complex contribution of correlation effects to large MAE of these material.Comment: revised version; 4 pages, 2 figure

First principles calculation of uniaxial magnetic anisotropy and magnetostriction in strained CMR films

We performed first - principles relativistic full-potential linearized augmented plane wave calculations for strained tetragonal ferromagnetic La(Ba)MnO$_3$ with an assumed experimental structure of thin strained tetragonal La$_{0.67}$Ca$_{0.33}$MnO$_3$ (LCMO) films grown on SrTiO$_3$[001] and LaAlO$_3$[001] substrates. The calculated uniaxial magnetic anisotropy energy (MAE) values, are in good quantitative agreement with experiment for LCMO films on SrTiO$_3$ substrate. We also analyze the applicability of linear magnetoelastic theory for describing the stain dependence of MAE, and estimate magnetostriction coefficient $\lambda_{001}$.Comment: Talk given at APS99 Meeting, Atlanta, 199

Ferromagnetic phases in spin-Fermion systems

Spin-Fermion systems which obtain their magnetic properties from a system of localized magnetic moments being coupled to conducting electrons are considered. The dynamical degrees of freedom are spin-$s$ operators of localized spins and spin-1/2 Fermi operators of itinerant electrons. Renormalized spin-wave theory, which accounts for the magnon-magnon interaction, and its extension are developed to describe the two ferrimagnetic phases in the system: low temperature phase $0<T<T^{*}$, where all electrons contribute the ordered ferromagnetic moment, and high temperature phase $T^{*}<T<T_C$, where only localized spins form magnetic moment. The magnetization as a function of temperature is calculated. The theoretical predictions are utilize to interpret the experimentally measured magnetization-temperature curves of $UGe_2$..Comment: 9 pages, 5 figure

Strong-coupling d-wave superconductivity in PuCoGa5 probed by point-contact spectroscopy

Superconductivity is due to an attractive interaction between electrons that, below a critical temperature, drives them to form Cooper pairs and to condense into a ground state separated by an energy gap from the unpaired states. In the simplest cases, the pairing is mediated by lattice vibrations and the wavefunction of the pairs is isotropic. Less conventional pairing mechanisms can favour more exotic symmetries of the Cooper pairs. Here, we report on point-contact spectroscopy measurements in PuCoGa5, a moderate heavy-fermion superconductor with a record high critical temperature Tc=18.5 K. The results prove that the wavefunction of the paired electrons has a d-wave symmetry, with four lobes and nodes, and show that the pairing is likely to be mediated by spin fluctuations. Electronic structure calculations, which take into account the full structure of the f-orbital multiplets of Pu, provide a hint of the possible origin of these fluctuations

Importance of full Coulomb interactions for understanding the electronic structure of delta-Pu

Contains fulltext : 84373.pdf (preprint version ) (Open Access)5 p

Nonlinear parametric instability in double-well lattices

A possibility of a nonlinear resonant instability of uniform oscillations in dynamical lattices with harmonic intersite coupling and onsite nonlinearity is predicted. Numerical simulations of a lattice with a double-well onsite anharmonic potential confirm the existence of the nonlinear instability with an anomalous value of the corresponding power index, 1.57, which is intermediate between the values 1 and 2 characterizing the linear and nonlinear (quadratic) instabilities. The anomalous power index may be a result of competition between the resonant quadratic instability and nonresonant linear instabilities. The observed instability triggers transition of the lattice into a chaotic dynamical state.Comment: A latex text file and three pdf files with figures. Physical Review E, in pres

Synthesis effects on the magnetic and superconducting properties of RuSr2GdCu2O8

A systematic study on the synthesis of the Ru-1212 compound by preparing a series of samples that were annealed at increasing temperatures and then quenched has been performed. It results that the optimal temperature for the annealing lies around 1060-1065 C; a further temperature increase worsens the phase formation. Structural order is very important and the subsequent grinding and annealing improves it. Even if from the structural point of view the samples appear substantially similar, the physical characterization highlight great differences both in the electrical and magnetic properties related to intrinsic properties of the phase as well as to the connection between the grains as inferred from the resistive and the Curie Weiss behaviour at high temperature as well as in the visibility of ZFC anf FC magnetic signals.Comment: 17 pages, 12 figures. Proc. Int. Workshop " Ruthenate and rutheno-cuprate materials: theory and experiments", Vietri, October 2001. To be published on LNP Series, Springer Verlag, Berlin, C. Noce, A. Vecchione, M. Cuoco, A. Romano Eds, 200

Dilatometry study of the ferromagnetic order in single-crystalline URhGe

Thermal expansion measurements have been carried out on single-crystalline URhGe in the temperature range from 2 to 200 K. At the ferromagnetic transition (Curie temperature T_C = 9.7 K), the coefficients of linear thermal expansion along the three principal orthorhombic axes all exhibit pronounced positive peaks. This implies that the uniaxial pressure dependencies of the Curie temperature, determined by the Ehrenfest relation, are all positive. Consequently, the calculated hydrostatic pressure dependence dT_C/dp is positive and amounts to 0.12 K/kbar. In addition, the effective Gruneisen parameter was determined. The low-temperature electronic Gruneisen parameter \Gamma_{sf} = 14 indicates an enhanced volume dependence of the ferromagnetic spin fluctuations at low temperatures. Moreover, the volume dependencies of the energy scales for ferromagnetic order and ferromagnetic spin fluctuations were found to be identical.Comment: 5 page

Investigation of the Jahn-Teller Transition in TiF3 using Density Functional Theory

We use first principles density functional theory to calculate electronic and magnetic properties of TiF3 using the full potential linearized augmented plane wave method. The LDA approximation predicts a fully saturated ferromagnetic metal and finds degenerate energy minima for high and low symmetry structures. The experimentally observed Jahn-Teller phase transition at Tc=370K can not be driven by the electron-phonon interaction alone, which is usually described accurately by LDA. Electron correlations beyond LDA are essential to lift the degeneracy of the singly occupied Ti t2g orbital. Although the on-site Coulomb correlations are important, the direction of the t2g-level splitting is determined by the dipole-dipole interactions. The LDA+U functional predicts an aniferromagnetic insulator with an orbitally ordered ground state. The input parameters U=8.1 eV and J=0.9 eV for the Ti 3d orbital were found by varying the total charge on the TiF$_6^{2-}$ ion using the molecular NRLMOL code. We estimate the Heisenberg exchange constant for spin-1/2 on a cubic lattice to be approximately 24 K. The symmetry lowering energy in LDA+U is about 900 K per TiF3 formula unit.Comment: 7 pages, 9 figures, to appear in Phys. Rev.

Split transition in ferromagnetic superconductors

The split superconducting transition of up-spin and down-spin electrons on the background of ferromagnetism is studied within the framework of a recent model that describes the coexistence of ferromagnetism and superconductivity induced by magnetic fluctuations. It is shown that one generically expects the two transitions to be close to one another. This conclusion is discussed in relation to experimental results on URhGe. It is also shown that the magnetic Goldstone modes acquire an interesting structure in the superconducting phase, which can be used as an experimental tool to probe the origin of the superconductivity.Comment: REVTeX4, 15 pp, 7 eps fig