Electronic structure and magnetism of doped $A_{x}Fe_{2-y}Se_{2}$

ORAL

Abstract

We develop a new multiorbital t-J Hamiltonian with realistic tight-binding and Heisenberg parameters to study the electronic and magnetic structure of $A_xFe_{2-y}Se_2$ superconductors for 0$<$y$<$0.4. The ARPES experiments are fitted by a tight-binding lattice model with random vacancy order. We find that the vacancy order greatly affects the electronic band structure. For intermediate doping levels 0 $<$ y $<$ 0.4, the stable electronic structure is a compromise between the solution for y=0 and y=0.4. Based on this model, we study the paramagnetic and antiferromagnetic (AFM) phases of $A_{0.8}Fe_{1.6}Se_2$. In the AFM phase the calculated spin susceptibility for the bare band structure agrees with a block-spin structure. This theoretical result is in good agreement with neutron scattering experiments of the spin structure. Furthermore, we show the results on the evolution of low-energy quasiparticle states with electron filling factor in the vacancy-ordered magnetic state.

Authors

  • Yuan-Yen Tai

    Dept. of Physics, Univ. of Houston, Houston, Texas 77054, USA

  • Jian-Xin Zhu

    Theoretical Division, Los Alamos National Laboratory, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA, Los Alamos National Laboratory, Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545

  • Matthias J. Graf

    Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA, Los Alamos National Laboratory

  • Chin-Sen Ting

    Dept. of Physics, Univ. of Houston, Houston, Texas 77054, USA, Texas Center for Superconductivity and Department of Physics, University of Houston