Electronic Structure of InCo2As2 and KInCo4As4: LDA + DMFT

A comparative analysis of the electronic structure obtained in DFT/LDA and LDA + DMFT approaches possible isostructural analogues iron superconductors InCo 2 As KInCo 4 with parent high-temperature superconductor system BaFe is carried out. It established that spite rather large value electron-electron correlations (local Coulomb interaction on Co- $$3d$$ shell $$U = 4.0$$ eV, Hund exchange $$J 0.85$$ eV), considered systems a relatively small quasiparticle mass renormalization 1.2–1.35 at Fermi level observed. The correlation effects lead to remarkable shift compression spectrum below –0.8 eV. band near qualitatively similar previously studied BaCo , differs significantly from . In system, bands resemble surfaces have topology. This indirectly points possibility superconductivity Also according results calculations it seen hole or electron doping will experience topological Lifshitz transitions. We believe synthesis compounds this paper important for study class materials.