Electronic Structure of Superconducting Ta 4 Pd 3 Te 16

The electronic structure of Ta 4 Pd 3 Te 16 was analyzed by tight‐binding band calculations based on the given structure. The compound electronically showed quasi‐one‐dimensional behavior even though it comprised a two‐dimensional layered structure. A strong orbital interaction was found only along the crystallographic b ‐direction of the compound. Fermi surface nesting disappeared in Ta 4 Pd 3 Te 16 because of the weak interaction between Ta–Te and Pd–Te polyhedra. It was found, therefore, that this compound could be a superconductor through suppression of the charge‐density wave state via disappearance of Fermi surface nesting.