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Local-density-approximation calculations are used to show that themetal-metal distance along the chains controls the charge-density wave (CDW) inhalogen-bridged transition-metal linear-chain (MX) compounds. The strength ofthe CDW can be understood in terms of a two band Su-Schrieffer-Heeger model ifa hard-core ion-ion repulsion potential is also added. We predict asecond-order phase transition from an insulating to a semi-metallic groundstate and explain trends in dimerization, bond-length ratios, band gaps, andRaman breathing modes in terms of the metal-metal distance. Three "ps" figuresare included at the end of the file.Comment: 13 page

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