Competing Ground States of Metal–Halide Ladders

  title={Competing Ground States of Metal–Halide Ladders},
  author={Kei-ichi Funase and Shoji Yamamoto},
  journal={Journal of the Physical Society of Japan},
Based on a symmetry argument, we investigate the ground-state properties of newly synthesized metal–halide ladder compounds (C 8 H 6 N 4 )[Pt(C 2 H 8 N 2 ) X ] 2 (ClO 4 ) 4 ·2H 2 O ( X =Cl, Br, and I). Employing a fully dressed two-band Peierls–Hubbard model, we systematically reveal possible charge- or spin-ordered states. Numerical phase diagrams demonstrate a variety of competing Peierls and Mott insulators with particular emphasis on the transition between two types of mixed-valent state of… Expand
10 Citations
Ground-State Properties of a Peierls-Hubbard Triangular Prism
Motivated by recent chemical attempts at assembling halogen-bridged transition-metal complexes within a nanotube, we model and characterize a platinum-halide triangular prism in terms of a Peierls–Expand
Density Functional Theory of Chlorine-Bridged Platinum Complexes: Monomer, Chain, and Two-Leg Ladders
Novel halogen-bridged platinum complexes, namely, their two-leg ladder versions, have been synthesized for the first time and their basic properties including optical spectra are now available.Expand
Photocontrollable Mixed-Valent States in Platinum-Halide Ladder Compounds
Employing a two-orbital extended Peierls–Hubbard model, we demonstrate the photomanipulation of mixed-valent states in platinum-halide ladder compounds. There are two types of interchain valenceExpand
Photoproduction of spin and charge carriers in halogen-bridged binuclear platinum chain complexes
Nonlinear lattice relaxation of photoexcited diplatinum-halide chain compounds is theoretically investigated within a one-dimensional extended Peierls–Hubbard model. We first illuminate the wholeExpand
Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.
The relationship between the intervalence charge-transfer (IVCT) band gap and the degree of distortion of the 1D chain shows that the neutral MX chains have a larger IVCT band gap than that of cationic MX-chain complexes. Expand
A Mixed-Valent Metal-Organic Ladder Linked by Pyrazine.
The MOL was found to have an electronic state that corresponds to the mixed-valence state of PtII and PtIV, and the intervalence charge transfer energy of the MOL has lower than that expected from the tendency of a similar halogen-bridged mixed-Valence MOL owing to its unique "zig-zag"-shaped legs. Expand
Optical distinction and photoinduced phase transition between degenerate ground states of polyacene
We investigate the ground-state properties of polyacene in terms of an extended Peierls-Hubbard Hamiltonian with particular emphasis on its structural instability of two types: double bonds in a cisExpand
Photoinduced Structural Phase Transitions in Polyacene
There exist two types of structural instability in polyacene: double bonds in a cis pattern and those in a trans pattern. They are isoenergetic but spectroscopically distinct. We demonstrate opticalExpand
Photoinduced Directional and Bidirectional Phase Transitions in Bistable Linear Polycyclic Aromatic Compounds
We study photoinduced phase transitions in linear homocyclic and heterocyclic aromatic polymers, numerically solving the time-dependent Schrodinger equation and observing the photoinduced opticalExpand
Optical observations of new halogen-bridged platinum complexes assembled within a ladder lattice
New varieties of quasi-one-dimensional transition metal (M)-halide (X) compounds,Expand


Competing Ground States of the New Class of Halogen-Bridged Metal Complexes
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 relevantExpand
Quantum and Thermal Phase Transitions of Halogen-Bridged Binuclear Transition-Metal Complexes
Aiming to settle the controversial observations for halogen-bridged binuclear transition-metal (MMX) complexes, finite-temperature Hartree-Fock calculations are performed for a relevant two-bandExpand
Characterization of halogen-bridged binuclear metal complexes as hybridized two-band materials
We study the electronic structure of halogen-bridged binuclear metal (MMX) complexes with a two-band Peierls-Hubbard model. Based on a symmetry argument, various density-wave states are derived andExpand
Erratum to: Broken-symmetry ground states of halogen-bridged binuclear metal complexes
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 aExpand
On the Phase Transition of α-(ET)2I3
The nature of the metal-insulator (MI) transition of α -(ET) 2 I 3 has been studied theoretically. The effect of the on-site Coulomb interaction has been investigated at absolute zero within theExpand
Two-band model for halogen-bridged mixed-valence transition-metal complexes. I. Ground state and excitation spectrum.
We consider a 3/4-filled, two-band discrete tight-binding Peierls-Hubbard model for an isolated chain of a halogen-bridged, mixed-valence, transition-metal linear-chain complex (HMMC or {ital MX}Expand
Charge ordering and spin gap in NaV2O5
A possible ground state of NaV 2 O 5 is proposed based on the Hartree approximation for both on-site and intersite Coulomb interactions. The results indicate that the intersite Coulomb interactionExpand
Photoinduced infrared absorption of quasi-one-dimensional halogen-bridged binuclear transition-metal complexes
Abstract We investigate the optical conductivity of photogenerated solitons in quasi-one-dimensional halogen-bridged binuclear transition-metal (MMX) complexes with particular emphasis on aExpand
Abstract Based on a symmetry argument we systematically show Hartree-Fock broken-symmetry solutions of the one-dimensional two-band extended Peierls-Hubbard model, which covers various materials ofExpand
Pressure-induced phase transitions of halogen-bridged binuclear metal complexesR4[Pt2(P2O5H2)4X]⋅nH2O
Recent contrasting observations for halogen (X)-bridged binuclear platinum complexes R_4[Pt_2(P_2O_5H_2)_4X]nH_2O, that is, pressure-induced Peierls and reverse Peierls instabilities, are explainedExpand