https://doi.org/10.1140/epjb/s10051-024-00860-8
Regular Article - Solid State and Materials
Theoretical study on superconductivity of metal-intercalated boron carbon compounds
School of Physics and Physical Engineering, Qufu Normal University, 273165, Qufu, China
a
sdchenyj@qfnu.edu.cn
b
qfzhmm@163.com
Received:
14
November
2024
Accepted:
27
December
2024
Published online:
24
January
2025
In recent years, two-dimensional (2D) superconducting materials have garnered significant interest due to their unique properties and potential applications. Here, we conducted thermodynamic and dynamic stability studies on 51 metal-intercalated hexagonal boron carbon (h-BC) compounds, and ultimately identified 22 stable compounds. Among these 22 compounds, 18 materials are metals, while the remaining 4 materials include 1 semiconductor () and 3 semimetals (
,
, and
). The possible superconductivity of eighteen metals is studied by solving the Allen–Dynes modified McMillan equation to estimate their superconducting transition temperature (
). The highest
is observed in
(
= 53.47 K), followed by
(
= 48.30 K), while the lowest
is in
(
= 0.04 K). Due to the high
of alkali metal intercalation compounds, this work mainly focuses on them. For alkali metal intercalation compounds, we found that the
rises with the increase of the main group atomic number, mainly due to the degree of metalization of the
-bonding band at the Fermi level. Another important reason is the softening of the phonon spectrum. These findings enrich the family of 2D superconductors, providing new theoretical insights for experimental synthesis and opening research ideas for 2D superconducting electronic devices.
Supplementary Information The online version contains supplementary material available at https://doi.org/10.1140/epjb/s10051-024-00860-8.
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Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.