Hole Binding around Ni Impurity in Cuprates

K. Tsutsui; A. Toyama; T. Tohyama; S. Maekawa

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arXiv · 0908.3535

Hole Binding around Ni Impurity in Cuprates

K. Tsutsui·A. Toyama·T. Tohyama·S. Maekawa

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Abstract

We examine the influence of Ni impurity in cuprates on the distribution of hole carriers by performing numerically exact diagonalization calculations for a model consisting of Cu3d, Ni3d, and O2p orbitals. Using realistic parameters for the system, we find that a hole is predominantly bound to O2p orbitals around the Ni impurity forming the Zhang-Rice doublet. This imposes strong restrictions on modeling Ni-substituted cuprates. We propose a resonant inelastic x-ray scattering experiment for Ni K-edge to confirm hole binding around the Ni impurity.

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K. Tsutsui, A. Toyama, T. Tohyama, S. Maekawa. 2009-08-25. Hole Binding around Ni Impurity in Cuprates. https://arxiv.org/abs/0908.3535

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