Superconductivity in two-dimensional boron allotropes

We use ab initio evolutionary algorithm and first-principles calculations to investigate structural, electronic, vibrational, and superconducting properties of two-dimensional (2D) boron allotropes. Remarkably, we show that conventional BCS superconductivity in the stable 2D boron structures is ubiq...

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Bibliographic Details
Published in:Physical review. B 2016-01, Vol.93 (1), Article 014502
Main Authors: Zhao, Yinchang, Zeng, Shuming, Ni, Jun
Format: Article
Language:English
Subjects:
Allotropes
Boron
Condensed matter
Electronics
Liquid hydrogen
Mathematical analysis
Superconductivity
Two dimensional
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Summary:We use ab initio evolutionary algorithm and first-principles calculations to investigate structural, electronic, vibrational, and superconducting properties of two-dimensional (2D) boron allotropes. Remarkably, we show that conventional BCS superconductivity in the stable 2D boron structures is ubiquitous with the critical temperature T sub(c) above the liquid hydrogen temperature for certain configurations. Due to the electronic states of the Fermi surface originating from both [sigma] and [pi] electrons, the superconductivity of the 2D structures arises from multiple phonon modes. Our results support that 2D boron structure may be a pure single-element material with the highest T sub(c) on conditions without high pressure and external strain.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.93.014502