Seminarium Oddziału Badań Magnetyków
sala nr 6 (bud. II)
Ab intitio study of electronic structure properties of CaAFe4As4 (A = K, Rb and Cs) superconductors
mgr Thi Ly Mai
A new series of layer – type structure CaAFe4As4 (A = K, Rb, Cs) superconductors was found in 2016 by Iyo et al. with Tc ~ 31 ÷ 35 K. Though the electronic band structure of those materials has been investigated by several groups, however, there remain some important differences in the magnetic ground state and electronic bands. Therefore, our aspiration was to reinvestigate using different self-consistent DFT calculations, hoping to get reasonable results. In my presentation, I will consider magnetic stability amongst several possible magnetic structures, present electronic ground state properties such as Density of states, Partial densities of states, Electronic band structures, Fermi surface and Electron localization function of Ca-1144 superconductors and the comparison of electronic properties with those of their parent 122-materials. Seems to provide new information on the physics underlying an enhancement of Tc in the Ca-1144 superconductors.
