首页|Structural transition,electric transport,and electronic structures in the compressed trilayer nickelate La4Ni3O10
Structural transition,electric transport,and electronic structures in the compressed trilayer nickelate La4Ni3O10
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Structural transition,electric transport,and electronic structures in the compressed trilayer nickelate La4Ni3O10
Atomic structure and electronic band structure are fundamental properties for understanding the mechanism of super-conductivity.Motivated by the discovery of pressure-induced high-temperature superconductivity at 80 K in the bilayer Rud-dlesden-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 14/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 3dz 2 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.
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
Center for Materials of the Universe,School of Molecular Sciences,Arizona State University,Tempe 85287,USA
School of Sciences,Sun Yat-sen University,Shenzhen 518107,China
La4Ni3O10 high pressure synchrotron X-ray diffraction structural transition DFT calculations
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