Correlation-corrected band topology and topological surface states in iron-based superconductors

Iron-based superconductors offer an ideal platform for studying topological superconductivity and Majorana fermions. In this paper, we carry out a comprehensive study of the band topology surface states number iron-based using combination density functional theory (DFT) dynamical mean-field theory. We find that strong electronic correlation Fe $3d$ electrons plays crucial role in determining superconductors. Electronic not only strongly renormalizes bandwidth electrons, but also shifts positions both As/Se $p$ electrons. As result, moves DFT-calculated many much closer to Fermi level, which is realizing superconducting observing zero modes as well achieving practical applications, such quantum computation. More importantly, can change make some topologically nontrivial with whereas they have trivial no DFT calculations. Our paper demonstrates it important take into account effects order accurately determine other correlated materials.