Electronic Band Properties of Ba sub 2 Tl sub 2 CuO sub 6

The electronic structure of body-centered-tetragonal Ba sub 2 Tl sub 2 CuO sub 6, the simplest member of a new family of high-T sub c superconducting cuprates, has been calculated with the use of the linear augmented- plane-wave method. The overall results exhibit features that are similar to those of the earlier cuprates. A unique feature is a pair of slightly- filled antibonding Tl(6s) - O(2p) subbands that decrease the effective valence of the oxygens in the Ba and Tl planes.