Electronic Band Properties of Pb sub 2 Sr sub 3 YCu sub 3 O8.

The linear augmented-plane-wave method has been applied to calculate the electronic band structure of tetragonal Pb sub 2 Sr sub 2 YCu sub 3 O sub 8, a parent compound of the recently discovered family of high T sub c superconducting cuprates with formula Pb sub 2 Sr sub 2 ACu sub 3 O sub 8 (A = lanthanide element plus Sr or Ca). The results feature a pair of half- filled planar Cu(d)-O(p) bands which are similar to those of the earlier cuprates. The remaining constituents are electronically inactive, suggesting that Sr-Ca doping is the principal mechanism for introducing additional carriers (holes) into the conducting Cu-O planes.