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The quasi-one-dimensional linear chain compound HfTe3 is experimentally andtheoretically explored in the few- to single-chain limit. Confining thematerial within the hollow core of carbon nanotubes allows isolation of thechains and prevents the rapid oxidation which plagues even bulk HfTe3.High-resolution transmission electron microscopy combined with densityfunctional theory calculations reveals that, once the triple-chain limit isreached, the normally parallel chains spiral about each other, andsimultaneously a short-wavelength trigonal anti-prismatic rocking distortionoccurs that opens a significant energy gap. This results in a size-drivenmetal-insulator transition.

Metal-insulator transition in quasi-one-dimensional HfTe3 in the few-chain limit