NSSEFF Designing New Higher Temperature Superconductors

Abstract : We propose here a new methodology where electronic structure calculations are integrated with the synthesis of new superconducting materials, with the aim of providing a rigorous test of the apparent association of high temperature superconductivity with electron delocalization transitions occurring at quantum critical points. We will use realistic electronic structure calculations to assess which transition metal monopnictides are closest to electron delocalization, and hence optimal for superconductivity. The functional layer will be matched with a layered host taken from an extensive library of known frame work structures, and then single crystals of the desired compound will be synthesized. Rapid turnaround characterization will determine the basic properties of these new materials, identifying the most promising candidates.