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Phase diagram of the Mott Transition in a two-band Hubbard model in infinite dimensions.pdf

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Phase diagram of the Mott Transition in a two-band Hubbard model in infinite dimensions

a r X i v : c o n d - m a t / 0 0 1 0 0 8 3 v 4 [ c o n d - m a t .s t r - e l ] 1 5 M a r 2 0 0 1 EPJ manuscript No. (will be inserted by the editor) Phase diagram of the Mott Transition in a two-band Hubbard model in infinite dimensions Y. O?no1,3, R. Bulla2 and A. C. Hewson3 1 Department of Physics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8602, JAPAN 2 Theoretische Physik III, Elektronische Korrelationen und Magnetismus, Universita?t Augsburg, Germany 3 Department of Mathematics, Imperial College, 180 Queen’s Gate, London SW7 2BZ, U.K. Received: date / Revised version: date Abstract. The Mott metal-insulator transition in the two-band Hubbard model in infinite dimensions is studied by using the linearized dynamical mean-field theory recently developed by Bulla and Potthoff. The phase boundary of the metal-insulator transition is obtained analytically as a function of the on- site Coulomb interaction at the d-orbital, the charge-transfer energy between the d- and p-orbitals and the hopping integrals between p ? d, d ? d and p ? p orbitals. The result is in good agreement with the numerical results obtained from the exact diagonalization method. PACS. 71.10.Fd Lattice fermion models (Hubbard model, etc.) – 71.27.+a Strongly correlated electron systems; heavy fermions – 71.30.+h Metal-insulator transitions and other electronic transitions 1 Introduction The Mott metal-insulator transition (MIT) is a fundamen- tal problem in the theory of strongly correlated electrons. Recently, significant progress has been achieved in under- standing this transition by using dynamical mean-field theory (DMFT) [1]. In the DMFT, the lattice problem is mapped into an impurity problem embedded in an ef- fective medium by neglecting the momentum dependence of the self-energy. Various methods, such as the iterated perturbation theory [1], the non-crossing approximation [2], the quantum Monte Carlo (QMC) method [3], the ex- act diagonalization (ED) method [4] and the n