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arXiv · 2207.00184

Peierls distortion driven multi-orbital origin of charge density waves in the undoped infinite-layer nickelate

Ruiqi Zhang·Christopher Lane·Johannes Nokelainen·Bahadur Singh·Bernardo Barbiellini·Robert S. Markiewicz·Arun Bansil·Jianwei Sun
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Abstract

Understanding similarities and differences between the cuprate and nickelate superconductors is drawing intense current interest. Competing charge orders have been observed recently in the $undoped$ infinite-layer nickelates in sharp contrast to the $undoped$ cuprates which exhibit robust antiferromagnetic insulating ground states. The microscopic mechanisms driving these differences remain unclear. Here, using in-depth first-principles and many-body theory based modeling, we show that the parent compound of the nickelate family, LaNiO$_2$, hosts a charge density wave (CDW) ground state with the predicted wavevectors in accord with the corresponding experimental findings. The CDW ground state is shown to be connected to a multi-orbital Peierls distortion. Our study points to the key role of electron-phonon coupling effects in the infinite-layer nickelates.

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Ruiqi Zhang, Christopher Lane, Johannes Nokelainen, Bahadur Singh, Bernardo Barbiellini, Robert S. Markiewicz, Arun Bansil, Jianwei Sun. 2022-07-01. Peierls distortion driven multi-orbital origin of charge density waves in the undoped infinite-layer nickelate. https://arxiv.org/abs/2207.00184

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