Journal Article

Structural transition, electric transport, and electronic structures in the compressed trilayer nickelate La4Ni3O10

Chen, Junfeng, Li, Jingyuan, Sun, Hualei, Hu, Xunwu, Shen, Bing, Wang, Meng, Yao, Dao-Xin, Han, Yifeng, Qiu, Zhengyang, Xie, Tao, Huo, Mengwu, Huang, Chaoxin, Ma, Peiyue, Huang, Xing, Chen, Lan, Chen, Cui-Qun

2024

Overview

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 Rud-dlesden-Popper nickelate La 3 Ni 2 O 7 , the atomic structure and electronic band structure of the trilayer nickelate La 4 Ni 3 O 10 under pressure up to 44.3 GPa are investigated. A structural transition from the monoclinic P 2 1 / a space group to the tetragonal I 4/ mmm around 12.6–13.4 GPa is identified, accompanied by a drop of resistance below 7 K. Density functional theory calculations suggest that the bonding state of Ni 3 d z 2 orbital rises and crosses the Fermi level at high pressures, which may give rise to possible superconductivity observed in resistance under pressure in La 4 Ni 3 O 10 . The trilayer nickelate La 4 Ni 3 O 10 shows some similarities with the bilayer La 3 Ni 2 O 7 and has unique properties, providing a new platform to investigate the underlying mechanism of superconductivity in nickelates.

• Publisher: Science China Press,Springer Nature B.V
• Subject: Astronomy / Atomic structure / Band structure of solids / Classical and Continuum Physics / Density functional theory / Electrons / High temperature / Observations and Techniques / Physics / Physics and Astronomy / Science / Single crystals / Superconductivity