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B 5 N 5 monolayer: a room-temperature light element antiferromagnetic insulator.

Dong ZhangQihua XiongKai Chang
Published in: Nanoscale advances (2020)
We demonstrate theoretically that an intrinsic antiferromagnetic phase exists in monolayer materials consisting of non-magnetic light atoms, and propose that B 5 N 5 with a decorated bounce lattice is a thermodynamically stable two-dimensional antiferromagnetic insulator by performing state-of-the-art density functional theory calculations. The antiferromagnetic phase originates from spontaneous symmetry breaking at the nearly flat bands in the vicinity of the Fermi energy. The flat bands are formed by purely s-p z orbitals and are spin degenerate. A perpendicular electric field can remove the spin degeneracy and a prototype controllable dual spin filter with 100% spin polarization is proposed. Our proposal offers a possible two-dimensional atomically thick antiferromagnetic insulator.
Keyphrases
  • density functional theory
  • room temperature
  • molecular dynamics