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 ne...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 4 dxyorbital,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 dx2à-y2 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.展开更多
基金the National Key Research and Development Program of China(2016YFA0300401)the National Natural Science Foundation of China(11604303,11604168 and 11574134)+1 种基金the Texas Center for Superconductivity at the University of Houston and the Robert A.Welch Foundation(E-1146)the support from China Scholarship Council(201909440001)。
文摘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 4 dxyorbital,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 dx2à-y2 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.
