Tuning of the charge-density wave in the halogen-bridged transition-metal linear-chain compounds.

@article{Alouani1993TuningOT,
  title={Tuning of the charge-density wave in the halogen-bridged transition-metal linear-chain compounds.},
  author={Alouani and Wilkins and Albers and Wills},
  journal={Physical review letters},
  year={1993},
  volume={71 9},
  pages={
          1415-1418
        }
}
  • Alouani, Wilkins, +1 author Wills
  • Published 18 August 1993
  • Physics, Medicine
  • Physical review letters
Local-density-approximation calculations are used to show that the metal-metal distance along the chains controls the charge-density wave (CDW) in halogen-bridged transition-metal linear-chain compounds. The strength of the CDW can be understood in terms of a two-band Su-Schrieffer-Heeger model if a hard-core ion-ion repulsion potential is also added. We predict a second-order phase transition from an insulating to a semimetallic ground state and explain trends in dimerization, bond-length… 
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