Atomic and electronic properties of quasi-one-dimensional MOS nanowires.

The structural, electronic and magnetic properties of quasi-one-dimensional MoS nanowires, passivated by extra sulfur, have been determined using density-functional theory. The nanostructures were simulated using several different models based on experimental electron microscopy images. It is found that independently of the geometrical details and the coverage of extra sulfur at the Mo-edge, quasi-one-dimensional metallic states are predominant in all the low-energy model structures despite their reduced dimensionality.