Zigzag chain structure transition and orbital fluctuations in Ni-based superconductors

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 obtain the strong developments of charge quadrupole susceptibilities driven by the in-plane and out-of-plane oscillations of Ni ions. The largest susceptibility is either O_{X^2-Y^2}-quadrupole susceptibility at q = (pi, 0, pi) or O_{XZ(YZ)}-quadrupole susceptibility at q = (pi, pi, pi), depending on the level splitting between d_{X^2-Y^2} and d_{XZ(YZ)}. These antiferro-quadrupole fluctuations would then be the origin of the strong coupling superconductivity in Ni-based superconductors. Also, we propose that the antiferro-quadrupole O_{X^2-Y^2} order with q = (pi, 0, pi) is the origin of the zigzag chain structure reported in experiments. We identify similarities and differences between Ni- and Fe-based superconductors.

7 pages, 5 figures

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Cited by in corpus (4)

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• Rotational symmetry breaking at the incommensurate charge-density-wave transition in Ba(Ni,Co)${}_2$(As,P)${}_2$: Possible nematic phase induced by charge/orbital fluctuations
• Evolution of Structure and Superconductivity in Ba(Ni${}_{1-x}$Co${}_x$)${}_2$As${}_2$
• Complex structure due to As bonding and interplay with electronic structure in superconducting BaNi2As2