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To explore material dependence of layered cuprate superconductors, we examineeffective two-particle interactions for Hg1201 and Tl1201, where Tl1201 havinga nearly half value of Tc of Hg1201 even at the optimal oxygen concentration.Although the 3dx_2-y_2 band, the Fermi surface, and its Wannier-orbitals aresimilar for these superconductors, there is an apparent difference in theunoccupied levels above EF. Based on a multi-referencedensity-functional-theory formulation, effective two-particle exchangeinteractions are estimated to derive enhancement in intra-layer exchangeinteractions for HgBa2CuO4, while it is weakened in TlBaLaCuO5 and furthermoreit is weak in TlBa2CuO5. The characteristic difference in the band structure iscorrelated with oxygen contents in the buffer layer. We also comment on thesimilar feature in triple-layered compounds. Our spin-fluctuation enhancementmechanism in an electron-correlation regime is consistent with the experimentalfact.

An enhancement mechanism of two-particle exchange interactions in single- and multi-layer cuprate superconductors