Co. Rodriguez et al., ELECTRONIC-STRUCTURE OF THE MERCURY-BASED HIGH-TC COMPOUND WITH 4 CUO2 LAYERS - HGBA2CAN-1CUNO2N+2 (N=4), Physica. C, Superconductivity, 219(1-2), 1994, pp. 17-20
The electronic structure of the tetragonal mercury-based compound cont
aining four CuO2 planes, HgBa2Ca3Cu4O10 (Hg1234), has been made from f
irst principles, within the local-density approximation using the full
potential linear muffin-tin orbital method. The Hg-derived band which
dopes the CuO2 planes dips further below the Fermi energy than in the
compounds with n = 2 and 3 planes (this band stays above the Fermi en
ergy for n = 1), increasing the degree of Hg character of all sheets o
f the Fermi surface.