Electronic structure and disorder effect of La3Ni2O7 superconductor
Yuxin Wang(王郁欣)1,2, Yi Zhang(张燚)3,4,†, and Kun Jiang(蒋坤)1,2,‡
1 Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China; 2 School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100190, China; 3 Department of Physics and Institute for Quantum Science and Technology, Shanghai University, Shanghai 200444, China; 4 Shanghai Key Laboratory of High Temperature Superconductors and International Center of Quantum and Molecular Structures, Shanghai University, Shanghai 200444, China
Abstract Determining the electronic structure of LaNiO is an essential step towards uncovering its superconducting mechanism. It is widely believed that the bilayer apical oxygens play an important role in the bilayer LaNiO electronic structure. Applying the hybrid exchange-correlation functionals, we obtain a more accurate electronic structure of LaNiO at its high-pressure phase, where the bonding band is below the Fermi level owing to the apical oxygen. The symmetry properties of this electronic structure and its corresponding tight-binding model are further analyzed. We find that the antisymmetric part is highly entangled, leading to a minimal nearly degenerate two-orbital model. Then, the apical oxygen vacancies effect is studied using the dynamical cluster approximation. This disorder effect strongly destroys the antisymmetric Fermi surface, leading to the possible disappearance of superconductivity.
Received: 16 January 2025
Revised: 25 February 2025
Accepted manuscript online: 27 February 2025
PACS:
71.23.-k
(Electronic structure of disordered solids)
Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. NSFC-12494590, NSFC-12174428, and NSFC-12274279), the New Cornerstone Investigator Program, and the Chinese Academy of Sciences Project for Young Scientists in Basic Research (Grant No. 2022YSBR-048).
Corresponding Authors:
Yi Zhang, Kun Jiang
E-mail: zhangyi821@shu.edu.cn;jiangkun@iphy.ac.cn
Cite this article:
Yuxin Wang(王郁欣), Yi Zhang(张燚), and Kun Jiang(蒋坤) Electronic structure and disorder effect of La3Ni2O7 superconductor 2025 Chin. Phys. B 34 047105
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