959 research outputs found
Renormalization of f-levels away from the Fermi energy in electron excitation spectroscopies: Density functional results of NdCeCuO
Relaxation energies for photoemission, when an occupied electronic state is
excited, and for inverse photoemission, when an empty state is filled, are
calculated within the density functional theory with application to
NdCeCuO. The associated relaxation energies are obtained by
computing differences in total energies between the ground state and an excited
state in which one hole or electron is added into the system. The relaxation
energies of f-electrons are found to be of the order of several eV's,
indicating that f-bands will appear substantially away from the Fermi energy
() in their spectroscopic images, even if these bands lie near . Our
analysis explains why it would be difficult to observe f electrons at the
even in the absence of strong electronic correlations.Comment: 6 pages, 1 figure, 1 tabl
A competing order scenario of two-gap behavior in hole doped cuprates
Angle-dependent studies of the gap function provide evidence for the
coexistence of two distinct gaps in hole doped cuprates, where the gap near the
nodal direction scales with the superconducting transition temperature ,
while that in the antinodal direction scales with the pseudogap temperature. We
present model calculations which show that most of the characteristic features
observed in the recent angle-resolved photoemission spectroscopy (ARPES) as
well as scanning tunneling microscopy (STM) two-gap studies are consistent with
a scenario in which the pseudogap has a non-superconducting origin in a
competing phase. Our analysis indicates that, near optimal doping,
superconductivity can quench the competing order at low temperatures, and that
some of the key differences observed between the STM and ARPES results can give
insight into the superlattice symmetry of the competing order.Comment: 9 pages, 7 fig
Direct observation of localization in the minority-spin-band electrons of magnetite below the Verwey temperature
Two-dimensional spin-uncompensated momentum density distributions, s, were reconstructed in magnetite at 12K and 300K from
several measured directional magnetic Compton profiles. Mechanical de-twinning
was used to overcome severe twinning in the single crystal sample below the
Verwey transition. The reconstructed in the first
Brillouin zone changes from being negative at 300 K to positive at 12 K. This
result provides the first clear evidence that electrons with low momenta in the
minority spin bands in magnetite are localized below the Verwey transition
temperature.Comment: 13 pages, 4 figures, accepted in Physical Review
A Novel 2D Folding Technique for Enhancing Fermi Surface Signatures in the Momentum Density: Application to Compton Scattering Data from an Al-3at%Li Disordered Alloy
We present a novel technique for enhancing Fermi surface (FS) signatures in
the 2D distribution obtained after the 3D momentum density in a crystal is
projected along a specific direction in momentum space. These results are
useful for investigating fermiology via high resolution Compton scattering and
positron annihilation spectroscopies. We focus on the particular case of the
(110) projection in an fcc crystal where the standard approach based on the use
of the Lock-Crisp-West (LCW) folding theorem fails to give a clear FS image due
to the strong overlap with FS images obtained through projection from higher
Brillouin zones. We show how these superposed FS images can be disentangled by
using a selected set of reciprocal lattice vectors in the folding process. The
applicability of our partial folding scheme is illustrated by considering
Compton spectra from an Al-3at%Li disordered alloy single crystal. For this
purpose, high resolution Compton profiles along nine directions in the (110)
plane were measured. Corresponding highly accurate theoretical profiles in
Al-3at%Li were computed within the local density approximation (LDA)-based
Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA)
first-principles framework. A good level of overall accord between theory and
experiment is obtained, some expected discrepancies reflecting electron
correlation effects notwithstanding, and the partial folding scheme is shown to
yield a clear FS image in the (110) plane in Al-3%Li.Comment: 24 pages, 8 figures, to appear in Phys. Rev.
A High-Resolution Compton Scattering Study of the Electron Momentum Density in Al
We report high-resolution Compton profiles (CP's) of Al along the three
principal symmetry directions at a photon energy of 59.38 keV, together with
corresponding highly accurate theoretical profiles obtained within the
local-density approximation (LDA) based band-theory framework. A good accord
between theory and experiment is found with respect to the overall shapes of
the CP's, their first and second derivatives, as well as the anisotropies in
the CP's defined as differences between pairs of various CP's. There are
however discrepancies in that, in comparison to the LDA predictions, the
measured profiles are lower at low momenta, show a Fermi cutoff which is
broader, and display a tail which is higher at momenta above the Fermi
momentum. A number of simple model calculations are carried out in order to
gain insight into the nature of the underlying 3D momentum density in Al, and
the role of the Fermi surface in inducing fine structure in the CP's. The
present results when compared with those on Li show clearly that the size of
discrepancies between theoretical and experimental CP's is markedly smaller in
Al than in Li. This indicates that, with increasing electron density, the
conventional picture of the electron gas becomes more representative of the
momentum density and that shortcomings of the LDA framework in describing the
electron correlation effects become less important.Comment: 7 pages, 6 figures, regular articl
Bulk Fermi surface and momentum density in heavily doped LaSrCuO using high resolution Compton scattering and positron annihilation spectroscopies
We have observed the bulk Fermi surface (FS) in an overdoped (=0.3) single
crystal of LaSrCuO by using Compton scattering. A
two-dimensional (2D) momentum density reconstruction from measured Compton
profiles yields a clear FS signature in the third Brillouin zone along [100].
The quantitative agreement between density functional theory (DFT) calculations
and momentum density experiment suggests that Fermi-liquid physics is restored
in the overdoped regime. In particular the predicted FS topology is found to be
in good accord with the corresponding experimental data. We find similar
quantitative agreement between the measured 2D angular correlation of positron
annihilation radiation (2D-ACAR) spectra and the DFT based computations.
However, 2D-ACAR does not give such a clear signature of the FS in the extended
momentum space in either the theory or the experiment.Comment: 9 pages, 8 figure
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