Application of Projective QMC to LDA+DMFT calculations for LiV$_2$O$_4$

ORAL

Abstract

By means of the LDA+DMFT method (the local density approximation combined with the dynamical mean field theory), we investigate the electronic structure of LiV$_2$O$_4$, for which various heavy-fermion-like behaviors have been observed experimentally. To obtain the spectral function at $T \rightarrow 0$, we employ the projective quantum Monte Carlo method as the solver of the effective impurity problem in DMFT. We show that a sharp peak appears just above the Fermi level at $T \rightarrow 0$, which is consistent with the recent photoemission experiment by Shimoyamada {\it et al.} [Phys. Rev. Lett. {\bf 96} 026403 (2006)]

Authors

  • Ryotaro Arita

    RIKEN (The Institute of Physical and Chemical Research), RIKEN

  • Karsten Held

    MaxPlanck Institute for Solid State Research

  • Alexey Lukoyanov

    Ural State Technical University-UPI

  • Vladimir Anisimov

    Institute of Metal Physics, Russian Academy of Science-Ural division