Topological doping of a three-dimensional Peierls system: Predicted structure 
of doped BaBiO3

Bischofs, IB; Allen, PB; Kostur, VN; Bhargava, R

doi:10.1103/PhysRevB.66.174108

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Topological doping of a three-dimensional Peierls system: Predicted structure of doped BaBiO3

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Bischofs, IB
Department of Physics and Astronomy, State University of New York, Stony Brook, New York, USA;
Theorie & Bio-Systeme, Max Planck Institute of Colloids and Interfaces, Max Planck Society;

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Citation

Bischofs, I., Allen, P., Kostur, V., & Bhargava, R. (2002). Topological doping of a three-dimensional Peierls system: Predicted structure of doped BaBiO3. PHYSICAL REVIEW B, 66(17): 174108. doi:10.1103/PhysRevB.66.174108.

Cite as: https://hdl.handle.net/21.11116/0000-000C-91E0-2

Abstract

At hole concentrations below x=0.4, Ba1-xKxBiO3 is nonmetallic. 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.