495 research outputs found
Electronic structure and electric-field gradients analysis in
Electric field gradients (EFG's) were calculated for the compound at
both and sites. The calculations were performed within
the density functional theory (DFT) using the augmented plane waves plus local
orbital (APW+lo) method employing the so-called LDA+U scheme. The
compound were treated as nonmagnetic, ferromagnetic, and antiferromagnetic
cases. Our result shows that the calculated EFG's are dominated at the
site by the Ce-4f states. An approximately linear relation is
intuited between the main component of the EFG's and total density of states
(DOS) at Fermi level. The EFG's from our LDA+U calculations are in better
agreement with experiment than previous EFG results, where appropriate
correlations had not been taken into account among 4f-electrons. Our result
indicates that correlations among 4f-electrons play an important role in this
compound and must be taken into account
Fermi Surface of The One-dimensional Kondo Lattice Model
We show a strong indication of the existence of a large Fermi surface in the
one-dimensional Kondo lattice model. The characteristic wave vector of the
model is found to be , being the density of the
conduction electrons. This result is at first obtained for a variant of the
model that includes an antiferromagnetic Heisenberg interaction between
the local moments. It is then directly observed in the conventional Kondo
lattice , in the narrow range of Kondo couplings where the long
distance properties of the model are numerically accessible.Comment: 11 pages, 6 figure
Magnetotransport near a quantum critical point in a simple metal
We use geometric considerations to study transport properties, such as the
conductivity and Hall coefficient, near the onset of a nesting-driven spin
density wave in a simple metal. In particular, motivated by recent experiments
on vanadium-doped chromium, we study the variation of transport coefficients
with the onset of magnetism within a mean-field treatment of a model that
contains nearly nested electron and hole Fermi surfaces. We show that most
transport coefficients display a leading dependence that is linear in the
energy gap. The coefficient of the linear term, though, can be small. In
particular, we find that the Hall conductivity is essentially
unchanged, due to electron-hole compensation, as the system goes through the
quantum critical point. This conclusion extends a similar observation we made
earlier for the case of completely flat Fermi surfaces to the immediate
vicinity of the quantum critical point where nesting is present but not
perfect.Comment: 11 pages revtex, 4 figure
Coordination Dependence of Hyperfine Fields of 5sp Impurities on Ni Surfaces
We present first-principles calculations of the magnetic hyperfine fields H
of 5sp impurities on the (001), (111), and (110) surfaces of Ni. We examine the
dependence of H on the coordination number by placing the impurity in the
surfaces, on top of them at the adatom positions, and in the bulk. We find a
strong coordination dependence of H, different and characteristic for each
impurity. The behavior is explained in terms of the on-site s-p hybridization
as the symmetry is reduced at the surface. Our results are in agreement with
recent experimental findings.Comment: 4 pages, 3 figure
Electronic and structural properties of superconducting MgB, CaSi and related compounds
We report a detailed study of the electronic and structural properties of the
39K superconductor \mgbtwo and of several related systems of the same family,
namely \mgalbtwo, \bebtwo, \casitwo and \cabesi. Our calculations, which
include zone-center phonon frequencies and transport properties, are performed
within the local density approximation to the density functional theory, using
the full-potential linearized augmented plane wave (FLAPW) and the
norm-conserving pseudopotential methods. Our results indicate essentially
three-dimensional properties for these compounds; however, strongly
two-dimensional -bonding bands contribute significantly at the Fermi
level. Similarities and differences between \mgbtwo and \bebtwo (whose
superconducting properties have not been yet investigated) are analyzed in
detail. Our calculations for \mgalbtwo show that metal substitution cannot be
fully described in a rigid band model. \casitwo is studied as a function of
pressure, and Be substitution in the Si planes leads to a stable compound
similar in many aspects to diborides.Comment: Revised version, Phys.Rev.B in pres
Quantized Majorana conductance
Majorana zero-modes hold great promise for topological quantum computing.
Tunnelling spectroscopy in electrical transport is the primary tool to identify
the presence of Majorana zero-modes, for instance as a zero-bias peak (ZBP) in
differential-conductance. The Majorana ZBP-height is predicted to be quantized
at the universal conductance value of 2e2/h at zero temperature. Interestingly,
this quantization is a direct consequence of the famous Majorana symmetry,
'particle equals antiparticle'. The Majorana symmetry protects the quantization
against disorder, interactions, and variations in the tunnel coupling. Previous
experiments, however, have shown ZBPs much smaller than 2e2/h, with a recent
observation of a peak-height close to 2e2/h. Here, we report a quantized
conductance plateau at 2e2/h in the zero-bias conductance measured in InSb
semiconductor nanowires covered with an Al superconducting shell. Our
ZBP-height remains constant despite changing parameters such as the magnetic
field and tunnel coupling, i.e. a quantized conductance plateau. We distinguish
this quantized Majorana peak from possible non-Majorana origins, by
investigating its robustness on electric and magnetic fields as well as its
temperature dependence. The observation of a quantized conductance plateau
strongly supports the existence of non-Abelian Majorana zero-modes in the
system, consequently paving the way for future braiding experiments.Comment: 5 figure
Optical study of the band structure of wurtzite GaP nanowires
We investigated the optical properties of wurtzite (WZ) GaP nanowires by performing photoluminescence (PL) and time-resolved PL measurements in the temperature range from 4 K to 300 K, together with atom probe tomography to identify residual impurities in the nanowires. At low temperature, the WZ GaP luminescence shows donor-acceptor pair emission at 2.115 eV and 2.088 eV, and Burstein-Moss band-filling continuum between 2.180 and 2.253 eV, resulting in a direct band gap above 2.170 eV. Sharp exciton α-β-γ lines are observed at 2.140-2.164-2.252 eV, respectively, showing clear differences in lifetime, presence of phonon replicas, and temperature- dependence. The excitonic nature of those peaks is critically discussed, leading to a direct band gap o
Fermi Surface of 3d^1 Perovskite CaVO3 Near the Mott Transition
We present a detailed de Haas van Alphen effect study of the perovskite
CaVO3, offering an unprecedented test of electronic structure calculations in a
3d transition metal oxide. Our experimental and calculated Fermi surfaces are
in good agreement -- but only if we ignore large orthorhombic distortions of
the cubic perovskite structure. Subtle discrepancies may shed light on an
apparent conflict between the low energy properties of CaVO3, which are those
of a simple metal, and high energy probes which reveal strong correlations that
place CaVO3 on the verge of a metal-insulator transition.Comment: 4 pages, 4 figures (REVTeX
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