Systematic electronic structure in the cuprate parent state from quantum many-body simulations
ORAL
Abstract
The quantitative description of correlated electron materials remains a modern computational challenge. We demonstrate a numerical strategy to simulate correlated materials at the fully ab initio level beyond the solution of effective low-energy models, and apply it to gain a detailed microscopic understanding across a family of cuprate superconducting materials in their parent undoped states. We uncover microscopic trends in the electron correlations and reveal the link between the material composition and magnetic energy scales via a many-body picture of excitation processes involving the buffer layers. Our work illustrates a path towards the quantitative and reliable understanding of more complex states of correlated materials at the ab initio many-body level.
*This work was primarily supported by the US Department of Energy, Office of Science, via grant no. DE-SC18140. The DMRG calculations were performed using the Block2 code which was developed with funding from the US National Science Foundation, via CHE-2102505. G.K.-L.C. is a Simons Investigator in Physics and is supported by the Simons Collaboration on the Many-Electron Problem. Z.-H.C. acknowledges support from the Eddleman Quantum Institute through a graduate fellowship.
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Publication: Z.-H. Cui, H. Zhai, X. Zhang, G. K.-L. Chan, Systematic electronic structure in the cuprate parent state from quantum many-body simulations, under review.
Presenters
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Zhi-Hao Cui
- Caltech