Stability and Electronic Properties of Atomistically-Engineered 2D Boron Sheets
نویسندگان
چکیده
Additional resources and features associated with this article are available within the HTML version: • Supporting Information • Links to the 4 articles that cite this article, as of the time of this article download • Access to high resolution figures • Links to articles and content related to this article • Copyright permission to reproduce figures and/or text from this article First principles calculations based on generalized-gradient approximation to density functional theory are performed to study structural and electronic properties of the 2D sheets consisting of the elemental boron. The results find that the boron sheet can be stable and can possess metallic or semiconducting character depending on its atomistic configuration. The unique features present in the electronic properties of the buckled {1212} and reconstructed {1221} sheets would lead to a significant variation on electronic and mechanical properties of the corresponding single-walled boron nanotubes.
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