388 research outputs found
On the Coexistence in RuSr2GdCu2O8 of Superconductivity and Ferromagnetism
We review the reasons that make superconductivity unlikely to arise in a
ferromagnet. Then, in light of the report by Tallon and collaborators that
RuSr2GdCu2O8 becomes superconducting at approximately 35 K which is well below
the Curie temperature of 132 K, we consider whether the objections really apply
to this compound. Our considerations are supported by local spin density
calculations for this compound, which indeed indicate a ferromagnetic RuO2
layer. The Ru moment resides in t_2g orbitals but is characteristic of
itinerant magnetism (and is sensitive to choice of exchange-correlation
potential and to the atomic positions). Based on the small exchange splitting
that is induced in the Cu-O layers, the system seems capable of supporting
singlet superconductivity an FFLO-type order parameter and possibly a pi-phase
alternation between layers. If instead the pairing is triplet in the RuO2
layers, it can be distinguished by a spin-polarized supercurrent. Either type
of superconductivity seems to imply a spontaneous vortex phase if the
magnetization is rotated out of the plane.Comment: 3 revtex pages, 2 embedded figures. In press, Proc. HTS99 Conf.,
Miami, 199
Orbital moment of a single Co atom on a Pt(111) surface - a view from correlated band theory
The orbital magnetic moment of a Co adatom on a Pt(111) surface is calculated
in good agreement with experimental data making use of the LSDA+U method. It is
shown that both electron correlation induced orbital polarization and
structural relaxation play essential roles in orbital moment formation. The
microscopic origins of the orbital moment enhancement are discussed
Electronic structure and spectral properties of Am, Cm and Bk: Charge density self-consistent LDA+HIA calculations in FP-LAPW basis
We provide a straightforward and numerically efficient procedure to perform
local density approximation + Hubbard I (LDA+HIA) calculations, including
self-consistency over the charge density, within the full potential linearized
augmented plane wave (FP-LAPW) method. This implementation is all-electron,
includes spin-orbit interaction, and makes no shape approximations for the
charge density. The method is applied to calculate selected heavy actinides in
the paramagnetic phase. The electronic structure and spectral properties of Am
and Cm metals obtained are in agreement with previous dynamical mean-field
theory (LDA+DMFT) calculations and with available experimental data. We point
out that the charge density self-consistent LDA+HIA calculations predict the
charge on Bk to exceed the atomic integer value by 0.22.Comment: 8 pages, 1 figur
Orbital magnetic moment and extrinsic spin Hall effect for iron impurity in gold
We report electronic structure calculations of an iron impurity in gold host.
The spin, orbital and dipole magnetic moments were investigated using the
LDA+ correlated band theory. We show that the {\em
around-mean-field}-LDA+ reproduces the XMCD experimental data well and does
not lead to formation of a large orbital moment on the Fe atom. Furthermore,
exact diagonalization of the multi-orbital Anderson impurity model with the
full Coulomb interaction matrix and the spin-orbit coupling is performed in
order to estimate the spin Hall angle. The obtained value suggests that there is no giant extrinsic spin Hall effect due to
scattering on iron impurities in gold.Comment: 5 pages, 2 figure
Multiplet effects in the electronic structure of -Pu, Am and their compounds
We propose a straightforward and efficient procedure to perform dynamical
mean-field (DMFT) calculations on the top of the static mean-field LDA+U
approximation. Starting from self-consistent LDA+U ground state we included
multiplet transitions using the Hubbard-I approximation, which yields a very
good agreement with experimental photoelectron spectra of -Pu, Am, and
their selected compounds.Comment: submitted to Europhysics Letter
Prospect for room temperature tunneling anisotropic magnetoresistance effect: density of states anisotropies in CoPt systems
Tunneling anisotropic magnetoresistance (TAMR) effect, discovered recently in
(Ga,Mn)As ferromagnetic semiconductors, arises from spin-orbit coupling and
reflects the dependence of the tunneling density of states in a ferromagnetic
layer on orientation of the magnetic moment. Based on ab initio relativistic
calculations of the anisotropy in the density of states we predict sizable TAMR
effects in room-temperature metallic ferromagnets. This opens prospect for new
spintronic devices with a simpler geometry as these do not require
antiferromagnetically coupled contacts on either side of the tunnel junction.
We focus on several model systems ranging from simple hcp-Co to more complex
ferromagnetic structures with enhanced spin-orbit coupling, namely bulk and
thin film L1-CoPt ordered alloys and a monatomic-Co chain at a Pt surface
step edge. Reliability of the predicted density of states anisotropies is
confirmed by comparing quantitatively our ab initio results for the
magnetocrystalline anisotropies in these systems with experimental data.Comment: 4 pages, 2 figure
Unified character of correlation effects in unconventional Pu-based superconductors and \delta-Pu
Electronic structure calculations combining the local-density approximation
with an exact diagonalization of the Anderson impurity model show an
intermediate 5f^5-5f^6-valence ground state and delocalization of the 5f^5
multiplet of the Pu atom 5f-shell in PuCoIn_5, PuCoGa_5, and \delta-Pu. The
5f-local magnetic moment is compensated by a moment formed in the surrounding
cloud of conduction electrons. For PuCoGa_5 and \delta-Pu the compensation is
complete and the Anderson impurity ground state is a singlet. For PuCoIn_5 the
compensation is partial and the Pu ground state is magnetic. We suggest that
the unconventional d-wave superconductivity is likely mediated by the 5f-states
antiferromagnetic fluctuations in PuCoIn_5, and by valence fluctuations in
PuCoGa_5.Comment: 5 pages, 3 figure
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