Dynamics and thermodynamics of the pseudospin-electron model in the case of absence of the.pdf

a r X i v : c o n d - m a t / 9 8 1 1 0 1 9 v 1 2 N o v 1 9 9 8 Dynamics and thermodynamics of the pseudospin-electron model in the case of absence of the electron Hubbard correlation. I. The analytical consideration. I.V.Stasyuk, A.M.Shvaika, K.V.Tabunshchyk Institute for Condensed Matter Physics, Ukrainian National Academy of Sciences, 1 Svientsitskii St., 29011 Lviv, Ukraine Abstract Dynamics and thermodynamics of the model with local anharmonism in the case of absence of the electron (Hubbard) correlation is investigated in the present work. The correlation functions, mean values of pseudospin and particle number as well as the ther- modynamical potential are calculated. The calculation is performed by diagrammatic method in the mean field approximation. Single–particle Green functions are taken in the Hubbard–I approximation. 1 Introduction. The model considering the interaction of electrons with the local anharmonic mode of lattice vibrations is used in the last years in the theory of high–temperature superconducting crystals. Particularly, such property is characteristic for the vibrations of the so–called apex oxygen ions OIV along c–axis direction of the layered compounds of YBa2Cu3O7–type structure (see, [1-3]). An important role of the apex oxygen and its anharmonic vibrations in the phase transition into superconducting state has been already mentioned [4,5] and the possible connection between the superconductivity and lattice instability of ferroelectric type in high–Tc superconducting compounds is under discussion [6,7]. In the case of local double–well potential, the vibrational degrees of freedom can be presented by pseudospin variables. The Hamiltonian of the derived in this way pseudospin–electron model has the following form [8] H = ∑ i Hi + ∑ ijσ tijb + iσbjσ , (1) and includes besides the terms describing electron transfer (～ tij), the electron correlation (U–term), interaction with anharmonic mode (g–term), the energy of the tunnelling spl