Band structure of infinite linear metallic chains

The electronic structures of infinite linear metallic chains have been examined by tight-binding band calculations. We have analyzed the band structures of these linear metallic chains, density of states, and Mulliken overlap populations. The band structure of the linear Rh and Ru chain possesses diffuse d bands that traverse the Fermi level, similar to that of the linear Cr and Co chain. On the other hand, the linear Cu chain possesses some narrow 4s bands in energy levels near the Fermi level. Changing the metal atoms of the central metallic chain can provide various electronic states.