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Monolayer NbF4: a 4d1-analogue of cuprates
Yang Yang1, Wan-Sheng Wang2, Chin-Sen Ting3
1Texas Center for Superconductivity and Department of Physics, University of Houston, Houston TX77204, USA; College of Physics and Electronic Engineering, Zhengzhou University of Light Industry, Zhengzhou 450002, China.
Abstract:
The electronic structure and possible electronic orders in monolayer NbF4 are investigated by density functional theory and functional renormalization group. Because of the niobium-centered octahedra, the energy band near the Fermi level is found to derive from the 4dxy orbital, well separated from the other bands. Local Coulomb interaction drives the undoped system into an antiferromagnetic insulator. Upon suitable electron/hole doping, the system is found to develop [Formula: see text] -wave superconductivity with sizable transition temperature. Therefore, the monolayer NbF4 may be an exciting 4d1 analogue of cuprates, providing a new two-dimensional platform for high-Tc superconductivity.
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