Competing Ground States of the New Class of Halogen-Bridged Metal Complexes.

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  • Yamamoto Shoji
    Department of Physics, Okayama University, Tsushima, Okayama 700–8530

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Based on a symmetry argument, we study the ground-state properties of halogen-bridged binuclear metal chain complexes. We systematically derive commensurate density-wave solutions from a relevant two-band Peierls-Hubbard model and numerically draw the the ground-state phase diagram as a function of electron-electron correlations, electron-phonon interactions, and doping concentration within the Hartree-Fock approximation. The competition between two types of charge-density-wave states, which has recently been reported experimentally, is demonstrated.

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