Prediction of superconductivity in bilayer borophenes

Borophenes and related two-dimensional materials have exhibited many exotic properties, especially for superconductivity, although the superconductivity of single-layer borophene is suppressed by the strains or doping from its substrates. Intriguingly, bilayer (BL) borophenes can be stabilized by ap...

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Bibliographic Details
Published in:RSC advances 2021-12, Vol.11 (63), p.422-4227
Main Authors: Yan, Luo, Ku, Ruiqi, Zou, Jing, Zhou, Liujiang, Zhao, Jijun, Jiang, Xue, Wang, Bao-Tian
Format: Article
Language:English
Subjects:
BCS theory
Bilayers
Borophene
Chemistry
Copper
Density functional theory
Monolayers
Phonons
Silver
Structural stability
Substrates
Superconductivity
Two dimensional materials
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Summary:Borophenes and related two-dimensional materials have exhibited many exotic properties, especially for superconductivity, although the superconductivity of single-layer borophene is suppressed by the strains or doping from its substrates. Intriguingly, bilayer (BL) borophenes can be stabilized by appropriate pillar density and hexagonal holes density, rather than being supported by Ag(111) or Cu(111) substrates. Thus, we studied the two most stable structures, namely BL-B8 and BL-B30, stabilized by the above-mentioned two methods. Within density functional theory and Bardeen-Cooper-Schrieffer theory framework, their stability, electron structures, and phonon properties, as well as possible superconductivity are systematically scrutinized. The metallic BL-B8 and BL-B30 exhibit intrinsic superconducting features with superconductivity transition temperatures ( T c ) of 11.9 and 4.9 K, respectively. The low frequency (below 400 cm −1 ) consisting of out-of-plane vibrations of boron atoms plays crucial rule in their superconductivity. In particular, a Kohn anomaly appears at the Γ point in BL-B8, leading to substantial electron-phonon coupling. Here, our findings will provide instructive clues for experimentally determining the superconductivity of borophene and will broaden the two-dimensional superconductor family. Bilayer borophene B8 and B30 are BCS-superconductors with T c of 11.9 and 4.9 K, respectively.
ISSN:2046-2069
2046-2069
DOI:10.1039/d1ra08014h