1,744 research outputs found
Doped Mott insulator as the origin of heavy Fermion behavior in LiV2O4
We investigate the electronic structure of LiV2O4, for which heavy fermion
behavior has been observed in various experiments, by the combination of the
local density approximation and dynamical mean field theory. To obtain results
at zero temperature, we employ the projective quantum Monte Carlo method as an
impurity solver. Our results show that the strongly correlated a1g band is a
lightly doped Mott insulator which -at low temperatures- shows a sharp (heavy)
quasiparticle peak just above the Fermi level, which is consistent with recent
photoemission experiment by Shimoyamada et al. [Phys. Rev. Lett. 96 026403
(2006)].Comment: 4 pages, 5 figure
Light hadron production in decays
The article is devoted to Bc->Bs+n pi, Bc->Bs*+n pi decays with n=1, 2, 3, 4.
In the framework of factorization theorem the branching fractions of these
processes can be written as convolution of hard part, describing Bc->Bs W,
Bc->Bs* W vertices, and spectral functions, that correspond to transition of
virtual -boson into a final pi-meson system. These functions were obtained
from the fit of experimental data on -lepton decay and electron-positron
annihilation. Using different sets of Bc->Bs decay form-factors we present
branching fractions and distributions over the invariant mass of the final
pi-meson system.Comment: minor changes, some references adde
Electronic states of PrCoO: X-ray photoemission spectroscopy and LDA+U density of states studies
Electronic states of PrCoO are studied using x-ray photoemission
spectroscopy. Pr 3d core level and valence band (VB) were recorded
using Mg K source. The core level spectrum shows that the 3d
level is split into two components of multiplicity 4 and 2, respectively due to
coupling of the spin states of the hole in 3d with Pr 4f holes spin
state. The observed splitting is 4.5 eV. The VB spectrum is interpreted using
density of states (DOS) calculations under LDA and LDA+U. It is noted that LDA
is not sufficient to explain the observed VB spectrum. Inclusion of on-site
Coulomb correlation for Co 3d electrons in LDA+U calculations gives DOS which
is useful in qualitative explanation of the ground state. However, it is
necessary to include interactions between Pr 4f electrons to get better
agreement with experimental VB spectrum. It is seen that the VB consists of Pr
4f, Co 3d and O 2p states. Pr 4f, Co 3d and O 2p bands are highly mixed
indicating strong hybridization of these three states. The band near the Fermi
level has about equal contributions from Pr 4f and O 2p states with somewhat
smaller contribution from Co 3d states. Thus in the Zaanen, Sawatzky, and Allen
scheme PrCoO can be considered as charge transfer insulator. The charge
transfer energy can be obtained using LDA DOS calculations and the
Coulomb-exchange energy U' from LDA+U. The explicit values for PrCoO are
= 3.9 eV and U' = 5.5 eV; the crystal field splitting and 3d bandwidth
of Co ions are also found to be 2.8 and 1.8 eV, respectively.Comment: 12 pages, 7 figures; to appear J. Phys.: Condens. Matte
Two Aspects of the Mott-Hubbard Transition in Cr-doped V_2O_3
The combination of bandstructure theory in the local density approximation
with dynamical mean field theory was recently successfully applied to
VO -- a material which undergoes the f amous Mott-Hubbard
metal-insulator transition upon Cr doping. The aim of this sh ort paper is to
emphasize two aspects of our recent results: (i) the filling of the
Mott-Hubbard gap with increasing temperature, and (ii) the peculiarities of the
Mott-Hubbard transition in this system which is not characterized by a diver
gence of the effective mass for the -orbital.Comment: 2 pages, 3 figures, SCES'04 conference proceeding
Semileptonic transition in three--point QCD sum rules and HQET with gluon condensate corrections
Taking into account the gluon condensate contributions, the form factors of
the semileptonic transition with are
calculated in the framework of the three point QCD sum rules. The heavy quark
effective theory limit of the form factors are also computed. The relevant
total decay width as well as the branching ratio are evaluated and compared
with the predictions of the other non-perturbative approaches.Comment: 27 Pages, 4 Figures and 4 Table
Combining the Hybrid Functional Method with Dynamical Mean-Field Theory
We present a new method to compute the electronic structure of correlated
materials combining the hybrid functional method with the dynamical mean-field
theory. As a test example of the method we study cerium sesquioxide, a strongly
correlated Mott-band insulator. The hybrid functional part improves the
magnitude of the pd-band gap which is underestimated in the standard
approximations to density functional theory while the dynamical mean-field
theory part splits the 4f-electron spectra into a lower and an upper Hubbard
band.Comment: 5 pages, 2 figures, replaced with revised version, published in
Europhys. Let
LDA+DMFT Spectral Functions and Effective Electron Mass Enhancement in Superconductor LaFePO
In this Letter we report the first LDA+DMFT results (method combining Local
Density Approximation with Dynamical Mean-Field Theory) for spectral properties
of superconductor LaFePO. Calculated {\bf k}-resolved spectral functions
reproduce recent angle-resolved photoemission spectroscopy (ARPES) data [D. H.
Lu {\it et al}., Nature {\bf 455}, 81 (2008)]. Obtained effective electron mass
enhancement values 1.9 -- 2.2 are in good agreement with
infrared and optical studies [M. M. Qazilbash {\it et al}., Nature Phys. {\bf
5}, 647 (2009)], de Haas--van Alphen, electrical resistivity, and electronic
specific heat measurements results, that unambiguously evidence for moderate
correlations strength in LaFePO. Similar values of were found in the
other Fe-based superconductors with substantially different superconducting
transition temperatures. Thus, the dynamical correlation effects are essential
in the Fe-based superconductors, but the strength of electronic correlations
does not determine the value of superconducting transition temperature.Comment: 4 pages, 3 figure
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