We predict a two-dimensional (2D) antiferromagnetic (AFM) boron (designated as M-boron) by using ab initio evolutionary methodology. M-boron is entirely composed of B₂₀ clusters in a hexagonal arrangement. Most strikingly, the highest valence band of M-boron is isolated, strongly localized, and quite flat, which induces spin polarization on either cap of the B₂₀ cluster. This flat band originates from the unpaired electrons of the capping atoms and is responsible for magnetism. M-boron is thermodynamically metastable and is the first magnetic 2D form of elemental boron.
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Zhou et al. (2016) studied this question.
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