Quantum Mechanical Calculations of High-Tc Fe-Superconductors

Recently in the Fe-based materials at high pressures, the #superconductivity (SC) was obtained at room critical temperature. Here, the electronic structure of the isolated Ba4Fe5As8 cluster doped by Rh and Pd using unrestricted M?ller-Plesset second order (MP2) method. Read more: https://tinyurl.com/y44pvzp9 (Authored by Ronald Columbié-Leyva, et al., from National Autonomous University of Mexico (México), etc.) #NBO_Analysis