Abstract

Based on a symmetry argument, we study ground states of what we call MMX-chain compounds, which are the new class of halogen-bridged metal complexes. Commensurate density-wave solutions of a relevant multi-band Peierls–Hubbard model are systematically revealed within the Hartree–Fock approximation. We numerically draw ground-state phase diagrams, where various novel density-wave states appear.

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