Pressure-induced phase transitions of halogen-bridged binuclear metal complexes R4[Pt2(P2O5H2)4X]nH2O
Abstract
Recent contrasting observations for halogen (X)-bridged binuclear platinum complexes R4[Pt2(P2O5H2)4X]nH2O, that is, pressure-induced Peierls and reverse Peierls instabilities, are explained by finite-temperature Hartree-Fock calculations. It is demonstrated that increasing pressure transforms the initial charge-polarization state into a charge-density-wave state at high temperatures, whereas the charge-density-wave state oppositely declines with increasing pressure at low temperatures. We further predict that higher-pressure experiments should reveal successive phase transitions around room temperature.
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