195 research outputs found
Unoccupied Band Structure of NbSe2 by Very-Low-Energy Electron Diffraction: Experiment and Theory
A combined experimental and theoretical study of very-low-energy electron
diffraction at the (0001) surface of 2H-NbSe2 is presented. Electron
transmission spectra have been measured for energies up to 50 eV above the
Fermi level with k|| varying along the GammaK line of the Brillouin zone. Ab
initio calculations of the spectra have been performed with the extended linear
augmented plane wave k-p method. The experimental spectra are interpreted in
terms of three-dimensional one-electron band structure. Special attention is
paid to the quasi-particle lifetimes: by comparing the broadening of the
spectral structures in the experimental and calculated spectra the energy
dependence of the optical potential Vi is determined. A sharp increase of Vi at
20 eV is detected, which is associated with a plasmon peak in the
Im(-1/epsilon) function. Furthermore, the electron energy loss spectrum and the
reflectivity of NbSe2 are calculated ab initio and compared with optical
experiments. The obtained information on the dispersions and lifetimes of the
unoccupied states is important for photoemission studies of the 3D band
structure of the valence band.Comment: 17 pages, 11 Postscript figures, submitted to Phys. Rev.
Atomic correlations in itinerant ferromagnets: quasi-particle bands of nickel
We measure the band structure of nickel along various high-symmetry lines of
the bulk Brillouin zone with angle-resolved photoelectron spectroscopy. The
Gutzwiller theory for a nine-band Hubbard model whose tight-binding parameters
are obtained from non-magnetic density-functional theory resolves most of the
long-standing discrepancies between experiment and theory on nickel. Thereby we
support the view of itinerant ferromagnetism as induced by atomic correlations.Comment: 4 page REVTeX 4.0, one figure, one tabl
Origin of the photoemission final-state effects in Bi2Sr2CaCu2O8 by very-low-energy electron diffraction
Very-low-energy electron diffraction with a support of full-potential band
calculations is used to achieve the energy positions, K// dispersions,
lifetimes and Fourier compositions of the photoemission final states in
Bi2Sr2CaCu2O8 at low excitation energies. Highly structured final states
explain the dramatic matrix element effects in photoemission. Intense c(2x2)
diffraction reveals a significant extrinsic contribution to the shadow Fermi
surface. The final-state diffraction effects can be utilized to tune the
photoemission experiment on specific valence states or Fermi surface replicas.Comment: 4 pages, 3 Postscript figures, submitted to Phys. Rev. Lett; major
revision
Band Mapping in One-Step Photoemission Theory: Multi-Bloch-Wave Structure of Final States and Interference Effects
A novel Bloch-waves based one-step theory of photoemission is developed
within the augmented plane wave formalism. Implications of multi-Bloch-wave
structure of photoelectron final states for band mapping are established.
Interference between Bloch components of initial and final states leads to
prominent spectral features with characteristic frequency dispersion
experimentally observed in VSe_2 and TiTe_2. Interference effects together with
a non-free-electron nature of final states strongly limit the applicability of
the common direct transitions band mapping approach, making the tool of
one-step analysis indispensable.Comment: 4 jpg figure
Observation of Weyl nodes in robust type-II Weyl semimetal WP2
Distinct to type-I Weyl semimetals (WSMs) that host quasiparticles described
by the Weyl equation, the energy dispersion of quasiparticles in type-II WSMs
violates Lorentz invariance and the Weyl cones in the momentum space are
tilted. Since it was proposed that type-II Weyl fermions could emerge from
(W,Mo)Te2 and (W,Mo)P2 families of materials, a large numbers of experiments
have been dedicated to unveil the possible manifestation of type-II WSM, e.g.
the surface-state Fermi arcs. However, the interpretations of the experimental
results are very controversial. Here, using angle-resolved photoemission
spectroscopy supported by the first-principles calculations, we probe the
tilted Weyl cone bands in the bulk electronic structure of WP2 directly, which
are at the origin of Fermi arcs at the surfaces and transport properties
related to the chiral anomaly in type-II WSMs. Our results ascertain that due
to the spin-orbit coupling the Weyl nodes originate from the splitting of
4-fold degenerate band-crossing points with Chern numbers C = 2 induced by
the crystal symmetries of WP2, which is unique among all the discovered WSMs.
Our finding also provides a guiding line to observe the chiral anomaly which
could manifest in novel transport properties.Comment: 13 pages, 3 figure
Electronic structure of GaAs1-xNx alloy by soft-X-ray absorption and emission: Origin of the reduced optical efficiency
The local electronic structure of N atoms in a diluted GaAs1-xNx (x=3%)
alloy, in view of applications in optoelectronics, is determined for the first
time using soft-X-ray absorption (SXA) and emission (SXE). Deviations from
crystalline GaN, in particular in the conduction band, are dramatic. Employing
the orbital character and elemental specificity of the SXE/SXA spectroscopies,
we identify a charge transfer from the N atoms at the valence band maximum,
reducing the overlap with the wavefunction in conduction band minimum, as the
main factor limiting the optical efficiency of GaAs1-xNx alloys. Moreover, a
k-conserving process of resonant inelastic x-ray scattering involving the L1
derived valence and conduction states is discovered.Comment: 3 pages, physica status solidi (Rapid Research Notes), in pres
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