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Topological (Sliced) Doping of a 3D Peierls System: Predicted Structure of Doped BaBiO3

Ilka B. Bischofs·Philip B. Allen·Vladimir N. Kostur·Rahul Bhargava
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Abstract

At hole concentrations below x=0.4, Ba_(1-x)K_xBiO_3 is non-metallic. At x=0, pure BaBiO3 is a Peierls insulator. Very dilute holes create bipolaronic point defects in the Peierls order parameter. Here we find that the Rice-Sneddon version of Peierls theory predicts that more concentrated holes should form stacking faults (two-dimensional topological defects, called slices) in the Peierls order parameter. However, the long-range Coulomb interaction, left out of the Rice-Sneddon model, destabilizes slices in favor of point bipolarons at low concentrations, leaving a window near 30% doping where the sliced state is marginally stable.

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Ilka B. Bischofs, Philip B. Allen, Vladimir N. Kostur, Rahul Bhargava. 2002-06-28. Topological (Sliced) Doping of a 3D Peierls System: Predicted Structure of Doped BaBiO3. https://doi.org/10.1103/physrevb.66.174108

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