35 research outputs found
Coulomb Correlations and Magnetic Anisotropy in ordered CoPt and FePt alloys
We present results of the magneto-crystalline anisotropy energy (MAE)
calculations for chemically ordered 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 and 5 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 with an assumed experimental structure of thin strained
tetragonal LaCaMnO (LCMO) films grown on SrTiO[001]
and LaAlO[001] substrates. The calculated uniaxial magnetic anisotropy
energy (MAE) values, are in good quantitative agreement with experiment for
LCMO films on SrTiO substrate. We also analyze the applicability of linear
magnetoelastic theory for describing the stain dependence of MAE, and estimate
magnetostriction coefficient .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- 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 , where all electrons
contribute the ordered ferromagnetic moment, and high temperature phase
, 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 ..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=18.5âK. 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 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