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 Bc→Bs(∗)+XB_{c}\to B_{s}^{(*)}+X 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 $W$-boson into a final pi-meson system. These functions were obtained from the fit of experimental data on $\tau$-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 PrCoO3_3: X-ray photoemission spectroscopy and LDA+U density of states studies

Electronic states of PrCoO$_3$ are studied using x-ray photoemission spectroscopy. Pr 3d$_{5/2}$ core level and valence band (VB) were recorded using Mg K$_\beta$ source. The core level spectrum shows that the 3d$_{5/2}$ level is split into two components of multiplicity 4 and 2, respectively due to coupling of the spin states of the hole in 3d$_{5/2}$ 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$_3$ can be considered as charge transfer insulator. The charge transfer energy $\Delta$ can be obtained using LDA DOS calculations and the Coulomb-exchange energy U' from LDA+U. The explicit values for PrCoO$_3$ are $\Delta$ = 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 V$_2$O$_3$ -- 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 $a_{1g}$-orbital.Comment: 2 pages, 3 figures, SCES'04 conference proceeding

Semileptonic Bc−→D∗0ℓνB_{c}^{-}\to D^{*0}\ell\nu 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 $B_c^- \to D^{*0}\ell\nu$ transition with $l=\tau, e$ 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 $m^{*}/m\approx$ 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 $m^{*}/m$ 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