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- W2914285758 abstract "A computation methodology based on ab initio evolutionary algorithms and the spin-polarized density functional theory was developed to predict two-dimensional (2D) magnetic materials. Its application to a model system borophene reveals an unexpected rich magnetism and polymorphism. A stable borophene with nonzero thickness was an antiferromagnetic (AFM) semiconductor from first-principles calculations, which can be further turned into a half metal by finite electron doping. In this borophene, the buckling and coupling among three atomic layers are not only responsible for the magnetism, but also result in an out-of-plane negative Poissons ratios under uniaxial tension, making it the first elemental material possessing auxetic and magnetic properties simultaneously." @default.
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- W2914285758 date "2019-05-10" @default.
- W2914285758 modified "2023-10-18" @default.
- W2914285758 title "Magnetic borophenes from an evolutionary search" @default.
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- W2914285758 doi "https://doi.org/10.1103/physrevb.99.205412" @default.
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