Electron-hole Asymmetry and Quantum Critical Point in Hole-doped BaFe${}_2$As${}_2$

Abstract

We show, from first-principles calculations, that the hole-doped side of FeAs-based compounds is different from its electron-doped counterparts. The electron side is characterized as Fermi surface nesting, and SDW-to-NM quantum critical point (QCP) is realized by doping. For the hole-doped side, on the other hand, orbital-selective partial orbital ordering develops together with checkboard antiferromagnetic (AF) ordering without lattice distortion. A unique SDW-to-AF QCP is achieved, and $J_2$=$J_1/2$ criteria (in the approximate $J_1&J_2$ model) is satisfied. The observed superconductivity is located in the vicinity of QCP for both sides.

4 pages

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• Competing Orders and Spin-Density-Wave Instability in La(O${}_{1-x}$F${}_x$)FeAs
• Doping-dependent Phase Diagram of LaO{\it M}As ({\it M}=V--Cu) and Electron-type Superconductivity near Ferromagnetic Instability

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• First-principles investigation of effect of pressure on BaFe${}_2$As${}_2$
• Observation of a ubiquitous three-dimensional superconducting gap function in optimally-doped Ba${}_{0.6}$K${}_{0.4}$Fe${}_2$As${}_2$