Calculation of Density of States for Iron-based Superconductors

The spectral and the total density of states are calculated for two-dimensional FeAs-clusters within the framework of the two-orbital model, which is widely used for modeling iron-based superconductors. An asymptotically accurate stochastic procedure is implemented that restores the kernel of the integral equation relating the Matsubara Green’s function and the spectral density of states. The data for the Matsubara Green’s function are obtained using the generalized Monte Carlo quantum algorithm. The data are presented for the momentum distribution of occupation numbers in the first Brillouin zone and along the main crystallographic directions.