Two-dimensional antiferromagnetic boron form first principles

A new two-dimensional (2D) antiferromagnetic semiconducting boron structure, named as M-B28, is predicted using ab initio evolutionary structure searching. First-principles calculations show that M-B28 has a lower energy than other 2D magnetic boron structures and is dynamically stable. The unpaired...

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Bibliographic Details
Main Authors: Chengguang Yue, Kun Luo, Bo Xu
Format: Article
Language:English
Published: AIP Publishing LLC 2019-05-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.5092323