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Two-Dimensional Magnetic Boron

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arxiv 1512.05790 v1 pith:I3FNU2HU submitted 2015-12-17 cond-mat.mtrl-sci

Two-Dimensional Magnetic Boron

Xiang-Feng Zhou , Artem R. Oganov , Zhenhai Wang , Ivan A. Popov , Alexander I. Boldyrev , Hui-Tian Wang This is my paper
classification cond-mat.mtrl-sci
keywords m-boronboronbandflatmagnetictwo-dimensionalantiferromagneticarrangement
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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 each 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 cluster-based 2D magnetic material in the elemental boron system.

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