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Main Authors: Li, Jingyuan, Chen, Cui-Qun, Huang, Chaoxin, Han, Yifeng, Huo, Mengwu, Huang, Xing, Ma, Peiyue, Qiu, Zhengyang, Chen, Junfeng, Hu, Xunwu, Chen, Lan, Xie, Tao, Shen, Bing, Sun, Hualei, Yao, Dao-Xin, Wang, Meng
Format: Preprint
Published: 2023
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Online Access:https://arxiv.org/abs/2311.16763
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author Li, Jingyuan
Chen, Cui-Qun
Huang, Chaoxin
Han, Yifeng
Huo, Mengwu
Huang, Xing
Ma, Peiyue
Qiu, Zhengyang
Chen, Junfeng
Hu, Xunwu
Chen, Lan
Xie, Tao
Shen, Bing
Sun, Hualei
Yao, Dao-Xin
Wang, Meng
author_facet Li, Jingyuan
Chen, Cui-Qun
Huang, Chaoxin
Han, Yifeng
Huo, Mengwu
Huang, Xing
Ma, Peiyue
Qiu, Zhengyang
Chen, Junfeng
Hu, Xunwu
Chen, Lan
Xie, Tao
Shen, Bing
Sun, Hualei
Yao, Dao-Xin
Wang, Meng
contents Atomic structure and electronic band structure are fundamental properties for understanding the mechanism of superconductivity. Motivated by the discovery of pressure-induced high-temperature superconductivity at 80 K in the bilayer Ruddlesden-Popper nickelate La3Ni2O7, the atomic structure and electronic band structure of the trilayer nickelate La4Ni3O10 under pressure up to 44.3 GPa are investigated. A structural transition from the monoclinic P21/a space group to the tetragonal I4/mmm around 12.6-13.4 GPa is identified, accompanying with a drop of resistance below 7 K. Density functional theory calculations suggest that the bonding state of Ni 3dz2 orbital rises and crosses the Fermi level at high pressures, which may give rise to possible superconductivity observed in resistance under pressure in La4Ni3O10. The trilayer nickelate La4Ni3O10 shows some similarities with the bilayer La3Ni2O7 and has unique properties, providing a new platform to investigate the underlying mechanism of superconductivity in nickelates.
format Preprint
id arxiv_https___arxiv_org_abs_2311_16763
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle Structural transition, electric transport, and electronic structures in the compressed trilayer nickelate La4Ni3O10
Li, Jingyuan
Chen, Cui-Qun
Huang, Chaoxin
Han, Yifeng
Huo, Mengwu
Huang, Xing
Ma, Peiyue
Qiu, Zhengyang
Chen, Junfeng
Hu, Xunwu
Chen, Lan
Xie, Tao
Shen, Bing
Sun, Hualei
Yao, Dao-Xin
Wang, Meng
Superconductivity
Atomic structure and electronic band structure are fundamental properties for understanding the mechanism of superconductivity. Motivated by the discovery of pressure-induced high-temperature superconductivity at 80 K in the bilayer Ruddlesden-Popper nickelate La3Ni2O7, the atomic structure and electronic band structure of the trilayer nickelate La4Ni3O10 under pressure up to 44.3 GPa are investigated. A structural transition from the monoclinic P21/a space group to the tetragonal I4/mmm around 12.6-13.4 GPa is identified, accompanying with a drop of resistance below 7 K. Density functional theory calculations suggest that the bonding state of Ni 3dz2 orbital rises and crosses the Fermi level at high pressures, which may give rise to possible superconductivity observed in resistance under pressure in La4Ni3O10. The trilayer nickelate La4Ni3O10 shows some similarities with the bilayer La3Ni2O7 and has unique properties, providing a new platform to investigate the underlying mechanism of superconductivity in nickelates.
title Structural transition, electric transport, and electronic structures in the compressed trilayer nickelate La4Ni3O10
topic Superconductivity
url https://arxiv.org/abs/2311.16763