31 research outputs found
Single 3 transition metal atoms on multi-layer graphene systems: electronic configurations, bonding mechanisms and role of the substrate
The electronic configurations of Fe, Co, Ni, and Cu adatoms on graphene and
graphite have been studied by x-ray magnetic circular dichroism and charge
transfer multiplet theory. A delicate interplay between long-range interactions
and local chemical bonding is found to influence the adatom equilibrium
distance and magnetic moment. The results for Fe and Co are consistent with
purely physisorbed species having, however, different 3-shell occupancies on
graphene and graphite ( and , respectively). On the other hand,
for the late 3 metals Ni and Cu a trend towards chemisorption is found,
which strongly quenches the magnetic moment on both substrates.Comment: 7 pages, 4 figure
Finite-temperature magnetism of FePd and CoPt alloys
The finite-temperature magnetic properties of FePd and
CoPt alloys have been investigated. It is shown that the
temperature-dependent magnetic behaviour of alloys, composed of originally
magnetic and non-magnetic elements, cannot be described properly unless the
coupling between magnetic moments at magnetic atoms (Fe,Co) mediated through
the interactions with induced magnetic moments of non-magnetic atoms (Pd,Pt) is
included. A scheme for the calculation of the Curie temperature () for
this type of systems is presented which is based on the extended Heisenberg
Hamiltonian with the appropriate exchange parameters obtained from
{\em ab-initio} electronic structure calculations. Within the present study the
KKR Green's function method has been used to calculate the parameters.
A comparison of the obtained Curie temperatures for FePd and
CoPt alloys with experimental data shows rather good agreement.Comment: 10 pages, 12 figure
Visualizing landscapes of the superconducting gap in heterogeneous superconductor thin films: geometric influences on proximity effects
The proximity effect is a central feature of superconducting junctions as it
underlies many important applications in devices and can be exploited in the
design of new systems with novel quantum functionality. Recently, exotic
proximity effects have been observed in various systems, such as
superconductor-metallic nanowires and graphene-superconductor structures.
However, it is still not clear how superconducting order propagates spatially
in a heterogeneous superconductor system. Here we report intriguing influences
of junction geometry on the proximity effect for a 2D heterogeneous
superconductor system comprised of 2D superconducting islands on top of a
surface metal. Depending on the local geometry, the superconducting gap induced
in the surface metal region can either be confined to the boundary of the
superconductor, in which the gap decays within a short distance (~ 15 nm), or
can be observed nearly uniformly over a distance of many coherence lengths due
to non-local proximity effects.Comment: 17 pages, 4 figure
Microscopic self-consistent theory of Josephson junctions including dynamical electron correlations
We formulate a fully self-consistent, microscopic model to study the
retardation and correlation effects of the barrier within a Josephson junction.
The junction is described by a series of planes, with electronic correlation
included through a local self energy for each plane. We calculate current-phase
relationships for various junctions, which include non-magnetic impurities in
the barrier region, or an interfacial scattering potential. Our results
indicate that the linear response of the supercurrent to phase across the
barrier region is a good, but not exact indicator of the critical current. Our
calculations of the local density of states show the current-carrying Andreev
bound states and their energy evolution with the phase difference across the
junction.
We calculate the figure of merit for a Josephson junction, which is the
product of the critical current, Ic, and the normal state resistance, R(N), for
junctions with different barrier materials. The normal state resistance is
calculated using the Kubo formula, for a system with zero current flow and no
superconducting order. Semiclassical calculations would predict that these two
quantities are determined by the transmission probabilities of electrons in
such a way that the product is constant for a given superconductor at fixed
temperature. Our self-consistent solutions for different types of barrier
indicate that this is not the case. We suggest some forms of barrier which
could increase the Ic.R(N) product, and hence improve the frequency response of
a Josephson device.Comment: 46 pages, 21 figure
Proximity effect, quasiparticle transport, and local magnetic moment in ferromagnet-d-wave superconductor junctions
The proximity effect, quasiparticle transport, and local magnetic moment in
ferromagnet--d-wave superconductor junctions with {110}-oriented interface are
studied by solving self-consistently the Bogoliubov-de Gennes equations within
an extended Hubbard model. It is found that the proximity induced order
parameter oscillates in the ferromagnetic region. The modulation period is
shortened with the increased exchange field while the oscillation amplitude is
depressed by the interfacial scattering. With the determined superconducting
energy gap, a transfer matrix method is proposed to compute the subgap
conductance within a scattering approach. Many novel features including the
zero-bias conductance dip and splitting are exhibited with appropriate values
of the exchange field and interfacial scattering strength. The conductance
spectrum can be influenced seriously by the spin-flip interfacial scattering.
In addition, a sizable local magnetic moment near the {110}-oriented surface of
the d-wave superconductor is discussed.Comment: 10 pages, 16 ps-figures, to appear in Phys. Rev.
Zn K edge and O K edge x-ray absorption spectra of ZnO surfaces: implications for nanorods
Zn K edge and O K edge x-ray absorption near-edge structure (XANES) spectra of ZnO surfaces are calculated. The difference between theoretical XANES for ZnO surfaces and ZnO bulk is then compared to the earlier observed differences between experimental XANES for ZnO nanostructures and ZnO bulk as taken from the literature. It follows from our calculations that the differences between the experimental XANES of bulk ZnO and nanocrystalline ZnO is not due to the enhanced role of the surfaces in nanostructures. Rather, the difference in XANES has to reflect differences in the local geometry around the photoabsorbing sites. The dependence of XANES of ZnO surfaces on the polarization of the incoming radiation is also investigated theoretically and found to be similar as in the bulk
Electronic structure effects on B K-edge XANES of minerals
In order to assess the usability of X-ray absorption near-edge structure (XANES) for studying the structure of BOn-containing materials, the dependence of theoretical XANES at the B K-edge on the way the scattering potential is constructed is investigated. Real-space multiple-scattering calculations are performed for self-consistent and non-self-consistent potentials and for different ways of dealing with the core hole. It is found that in order to reproduce the principal XANES features it is sufficient to use a non-self-consistent potential with a relaxed and screened core hole. Employing theoretical modelling of XANES for studying the structure of boron-containing glasses is thus possible. The core hole affects the spectrum significantly, especially in the pre-edge region. In contrast to minerals, B K-edge XANES of BPO4 can be reproduced only if a self-consistent potential is employed. (C) 2010 International Union of Crystallography Printed in Singapore - all rights reserve