Abstract
We investigate the electronic state and structure transition of BaNi2As2,
which shows a similar superconducting phase diagram as Fe-based
superconductors. We construct the ten-orbital tight-binding model for BaNi2As2
by using the maximally localized Wannier function method. The Coulomb and
quadrupole-quadrupole interactions are treated within the random-phase
approximation. We find that the charge susceptibility of quadrupole O_X2-Y2
has the largest peak structure at q = (pi, 0, pi) which is derived from both
the in-plane and out-of-plane oscillations of Ni ions. We propose that the
antiferro-quadrupole O_X2-Y2 order with q = (pi, 0, pi) is the origin of the
zigzag chain structure reported in experiments. The obtained
antiferro-quadrupole fluctuations would then be the origin of the strong
coupling superconductivity in Ni-based superconductors. We identify
similarities and differences between Ni- and Fe-based superconductors.
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