Structural transition,electric transport,and electronic structures in the compressed trilayer nickelate La_(4)Ni_(3)O_(10)  

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

机构地区：[1]Center for Neutron Science and Technology,Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices,School of Physics,Sun Yat-sen University,Guangzhou 510275,China [2]Center for Materials of the Universe,School of Molecular Sciences,Arizona State University,Tempe 85287,USA [3]School of Sciences,Sun Yat-sen University,Shenzhen 518107,China

出　　处：《Science China(Physics,Mechanics & Astronomy)》2024年第11期9-15,共7页中国科学：物理学、力学、天文学（英文版）

基　　金：supported by the National Natural Science Foundation of China (Grant Nos.12174454,12304187,U213010013,92165204,and 11974432);Guangdong Basic and Applied Basic Research Funds (Grant No.2021B1515120015);Guangzhou Basic and Applied Basic Research Funds (Grant Nos.202201011123,and 2024A04J6417);National Key Research and Development Program of China (Grant Nos.2022YFA1402802,2023YFA1406500,and 2023YFA1406002);Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices (Grant No.2022B1212010008);Fundamental Research Funds for the Central Universities,Sun Yat-sen University (Grant No.23qnpy57);Shenzhen International Quantum Academy;High-pressure synchrotron X-ray measurements were performed at the 4W2 High-Pressure Station,Beijing Synchrotron Radiation Facility,which is supported by the Chinese Academy of Sciences (Grant Nos.KJCX2-SW-N20,and KJCX2-SW-N03)。

摘　　要：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 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 P2_(1)/a space group to the tetragonal I4/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 3d_(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.

关 键 词：La_(4)Ni_(3)O_(10) high pressure synchrotron X-ray diffraction structural transition DFT calculations 

分 类 号：O469[理学—凝聚态物理]