Project Details
Projekt
Polaronic effects in the Density Functional Theory for Superconductors
Applicant
Professor Dr. Eberhard K. U. Gross
Subject Area
Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
Term
from 2007 to 2012
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 61928804
Density functional theory of superconductivity has been rather successful in predicting material-specific properties, such as the critical temperature Tc, of conventional (BCS-type) superconductors. For the high-Tc cuprates, however, the presently available approximations of the xc free-energy functional fail to give the correct description. The goal of the proposed research is to construct and implement improved approximations of the xc functional by taking polaronic contributions into account. This is achieved by employing diagrammatic techniques of many-body perturbation theory. A dressed (polaronic) Greensfunction is obtained from solving a Dyson equation with a GW-type self-energy. This Greensfunction is then used as basic element in the diagrammatic construction of the xc free-energy functional. This construction is to be viewed as a first step towards a first-principles description of high-T−c superconductors.
DFG Programme
Priority Programmes
