We use first-principles calculations to extract two essential microscopic parameters, the charge-transfer energy and the inter-cell oxygen-oxygen hopping, which correlate with the maximum superconducting transition temperature T c,max across the cuprates. We explore the superconducting state in the three-band model of the copper-oxygen planes using cluster Dynamical Mean-Field Theory. We find that the variation in the charge-transfer energy largely accounts for the empirical trend in T c,max, resolving a long-standing contradiction with theoretical calculations.
|Original language||English (US)|
|State||Published - 2012|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)