64 research outputs found
Aspects of electron-phonon interactions with strong forward scattering in FeSe Thin Films on SrTiO substrates
Mono- and multilayer FeSe thin films grown on SrTiO and
BiTiO substrates exhibit a greatly enhanced superconductivity over
that found in bulk FeSe. A number of proposals have been advanced for the
mechanism of this enhancement. One possibility is the introduction of a
cross-interface electron-phonon (-) interaction between the FeSe
electrons and oxygen phonons in the substrates that is peaked in the forward
scattering (small ) direction due to the two-dimensional nature of the
interface system. Motivated by this, we explore the consequences of such an
interaction on the superconducting state and electronic structure of a
two-dimensional system using Migdal-Eliashberg theory. This interaction
produces not only deviations from the expectations of conventional
phonon-mediated pairing but also replica structures in the spectral function
and density of states, as probed by angle-resolved photoemission spectroscopy,
scanning tunneling microscopy/spectroscopy, and quasi-particle interference
imaging. We also discuss the applicability of Migdal-Eliashberg theory for a
situation where the \ep interaction is peaked at small momentum transfer and in
the FeSe/STO system
Recovering hidden Bloch character: Unfolding Electrons, Phonons, and Slabs
For a quantum state, or classical harmonic normal mode, of a system of
spatial periodicity "R", Bloch character is encoded in a wavevector "K". One
can ask whether this state has partial Bloch character "k" corresponding to a
finer scale of periodicity "r". Answering this is called "unfolding." A theorem
is proven that yields a mathematically clear prescription for unfolding, by
examining translational properties of the state, requiring no "reference
states" or basis functions with the finer periodicity (r,k). A question then
arises, how should one assign partial Bloch character to a state of a finite
system? A slab, finite in one direction, is used as the example. Perpendicular
components k_z of the wavevector are not explicitly defined, but may be hidden
in the state (and eigenvector |i>.) A prescription for extracting k_z is
offered and tested. An idealized silicon (111) surface is used as the example.
Slab-unfolding reveals surface-localized states and resonances which were not
evident from dispersion curves alone.Comment: 11 pages, 7 figure
Universality of scanning tunneling microscopy in cuprate superconductors
We consider the problem of local tunneling into cuprate superconductors,
combining model based calculations for the superconducting order parameter with
wavefunction information obtained from first principles electronic structure.
For some time it has been proposed that scanning tunneling microscopy (STM)
spectra do not reflect the properties of the superconducting layer in the
CuO plane directly beneath the STM tip, but rather a weighted sum of
spatially proximate states determined by the details of the tunneling process.
These "filter" ideas have been countered with the argument that similar
conductance patterns have been seen around impurities and charge ordered states
in systems with atomically quite different barrier layers. Here we use a
recently developed Wannier function based method to calculate topographies,
spectra, conductance maps and normalized conductance maps close to impurities.
We find that it is the local planar Cu Wannier function,
qualitatively similar for many systems, that controls the form of the tunneling
spectrum and the spatial patterns near perturbations. We explain how, despite
the fact that STM observables depend on the materials-specific details of the
tunneling process and setup parameters, there is an overall universality in the
qualitative features of conductance spectra. In particular, we discuss why STM
results on BiSrCaCuO and CaNaCuOCl are
essentially identical
Interpretation of scanning tunneling quasiparticle interference and impurity states in cuprates
We apply a recently developed method combining first principles based Wannier
functions with solutions to the Bogoliubov-de Gennes equations to the problem
of interpreting STM data in cuprate superconductors. We show that the observed
images of Zn on the surface of BiSrCaCuO can only be understood
by accounting for the tails of the Cu Wannier functions, which include
significant weight on apical O sites in neighboring unit cells. This
calculation thus puts earlier crude "filter" theories on a microscopic
foundation and solves a long standing puzzle. We then study quasiparticle
interference phenomena induced by out-of-plane weak potential scatterers, and
show how patterns long observed in cuprates can be understood in terms of the
interference of Wannier functions above the surface. Our results show excellent
agreement with experiment and enable a better understanding of novel phenomena
in the cuprates via STM imaging.Comment: 5 pages, 5 figures, published version (Supplemental Material: 5
pages, 11 figures) for associated video file, see
http://itp.uni-frankfurt.de/~kreisel/QPI_BSCCO_BdG_p_W.mp
Magnon Orbital Angular Momentum of Ferromagnetic Honeycomb and Zig-Zag Lattices
By expanding the gauge for magnon band in harmonics of
momentum , we demonstrate that the only observable
component of the magnon orbital angular momentum is its angular
average over all angles , denoted by . For both the FM honeycomb
and zig-zag lattices, we show that is nonzero in the presence of a
Dzyalloshinzkii-Moriya (DM) interaction. The FM zig-zag lattice model with
exchange interactions provides a new system where the effects of
orbital angular momentum are observable. For the zig-zag model with equal
exchange interactions and along the and axis, the
magnon bands are degenerate along the boundaries of the Brillouin zone with
and the Chern numbers are not well defined. However,
a revised model with lifts those degeneracy and produces
well-defined Chern numbers of for the two magnon bands. When
, the thermal conductivity of the FM zig-zag
lattice is largest for but is still about four times smaller than
that of the FM honeycomb lattice at high temperatures. Due to the removal of
band degeneracies, is slightly enhanced when .Comment: 13 figure
Relevance of the Heisenberg-Kitaev model for the honeycomb lattice iridates A_2IrO_3
Combining thermodynamic measurements with theoretical density functional and
thermodynamic calculations we demonstrate that the honeycomb lattice iridates
A2IrO3 (A = Na, Li) are magnetically ordered Mott insulators where the
magnetism of the effective spin-orbital S = 1/2 moments can be captured by a
Heisenberg-Kitaev (HK) model with Heisenberg interactions beyond
nearest-neighbor exchange. Experimentally, we observe an increase of the
Curie-Weiss temperature from \theta = -125 K for Na2IrO3 to \theta = -33 K for
Li2IrO3, while the antiferromagnetic ordering temperature remains roughly the
same T_N = 15 K for both materials. Using finite-temperature functional
renormalization group calculations we show that this evolution of \theta, T_N,
the frustration parameter f = \theta/T_N, and the zig-zag magnetic ordering
structure suggested for both materials by density functional theory can be
captured within this extended HK model. Combining our experimental and
theoretical results, we estimate that Na2IrO3 is deep in the magnetically
ordered regime of the HK model (\alpha \approx 0.25), while Li2IrO3 appears to
be close to a spin-liquid regime (0.6 < \alpha < 0.7).Comment: Version accepted for publication in PRL. Additional DFT and
thermodynamic calculations have been included. 6 pages of supplementary
material include
Long range magnetic ordering in NaIrO
We report a combined experimental and theoretical investigation of the
magnetic structure of the honeycomb lattice magnet NaIrO, a strong
candidate for a realization of a gapless spin-liquid. Using resonant x-ray
magnetic scattering at the Ir L-edge, we find 3D long range
antiferromagnetic order below T=13.3 K. From the azimuthal dependence of
the magnetic Bragg peak, the ordered moment is determined to be predominantly
along the {\it a}-axis. Combining the experimental data with first principles
calculations, we propose that the most likely spin structure is a novel
"zig-zag" structure
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