We present the results of precise correlated-electron calculations on the monomer lattices of the organic charge-transfer solids κ-(BEDT-TTF)2X for 32 and 64 molecular sites. Our calculations are for band parameters corresponding to X=Cu[N(CN)2]Cl and Cu2(CN)3, which are semiconducting antiferromagnetic and quantum spin liquid, respectively, at ambient pressure. We have performed our calculations for variable electron densities ρ per BEDT-TTF molecule, with ρ ranging from 1 to 2. We find that d-wave superconducting pair-pair correlations are enhanced by electron-electron interactions only for a narrow carrier concentration about ρ=1.5, which is precisely the carrier concentration where superconductivity in the charge-transfer solids occurs. Our results indicate that the enhancement in pair-pair correlations is not related to antiferromagnetic order, but to a proximate hidden spin-singlet state that manifests itself as a charge-ordered state in other charge-transfer solids. Long-range superconducting order does not appear to be present in the purely electronic model, suggesting that electron-phonon interactions also must play a role in a complete theory of superconductivity.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics