Abstract
The electronic structure of HgBa 2Ca n−1 Cu n O 2 n+2 ( n=3,4, Hg12( n−1) n) is investigated by using the scalar-relativistic full-potential linearized augmented-plane-wave method. We calculated Fermi velocities v F and Fermi surface volume, and found that the anisotropy defined by the ratio v F x / v F z is similar to that in TlBa 2Ca 2Cu 3O 9. This anisotropy is also in good agreement with the experimental value. Each of the large Fermi surfaces contains 0.93–1.11 holes in Hg1223 and 0.90–1.14 holes in Hg1234. These values are similar to that in CuBa 2Ca 3Cu 4O 9F, which are designed to have an optimum set of the Fermi surface for superconductivity.
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