Pair correlations in iron-based superconductors: Quantum Monte Carlo study

The new generalized quantum continuous time world line Monte Carlo algorithm was developed to calculate pair correlation functions for two-dimensional FeAs-clusters modeling of iron-based superconductors using a two-orbital model. The data obtained for clusters with sizes up to 10×10 FeAs-cells favor the possibility of an effective charge carrier's attraction that is corresponding the A_1g-symmetry, at some parameters of interaction. The analysis of pair correlations depending on the cluster size, temperature, interaction, and the type of symmetry of the order parameter is carried out. - Highlights: • New generalized quantum continuous time world line Monte Carlo algorithm is developed. • Pair correlation functions for two-dimensional FeAs-clusters are calculated. • Parameters of two-orbital model corresponding to attraction of carriers are defined