Substitutional impurities in a linear chain with Peierls instability: Single-impurity approach

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Abstract
The effect of substitutional impurities on a half-occupied linear chain with Peierls instability is studied within a single-impurity approach. The change in energy due to the presence of impurities is calculated analytically assuming them to be independent. The evolution of the order parameter at T=0 K versus impurity concentration is investigated, showing an abrupt drop to zero and the possibility of metastable solutions. The approximation is tested by analyzing the effects of pair interaction on the single-impurity results. Finally, the finite-temperature case is investigated by considering the evolution of the transition temperature with impurity concentration.