Broken-Symmetry Ground States of Halogen-Bridged Binuclear Metal Complexes
Shoji Yamamoto
TL;DR
This paper investigates the ground states of MMX-chain compounds, a new class of halogen-bridged metal complexes, using a multi-band Peierls-Hubbard model and Hartree-Fock approximation to reveal various density-wave phases.
Contribution
It introduces a symmetry-based approach and systematic phase diagram analysis for MMX-chain compounds, highlighting novel density-wave states.
Findings
Identification of multiple density-wave ground states
Numerical phase diagrams illustrating state stability
Revelation of novel density-wave phases
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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