https://doi.org/10.1140/epjb/s10051-022-00467-x
Regular Article - Solid State and Materials
Investigation of electronic, dielectric, and plasmonic properties of two-dimensional electride Ba4Al5
State Key Laboratory of Information Photonics and Optical Communications & School of Science, Beijing University of Posts and Telecommunications, 100876, Beijing, China
e
yinfeifei@bupt.edu.cn
f
zhangxiaobupt@bupt.edu.cn
Received:
25
October
2022
Accepted:
6
December
2022
Published online:
9
January
2023
Ba4Al5 is an electride in which excess anion electrons are confined in the two-dimensional interlayer region. Here, we carry out a systematical study on the electronic, optical, and plasmonic properties of Ba4Al5 using the first-principles calculations. It is found that the metallic Ba4Al5 has a relatively low cleavage energy (~ 0.77 J/m2), suggesting a weak interlayer interaction and the easiness of exfoliation. Importantly, Ba4Al5 possesses a low work function on the (001) surface and exhibit excellent optical properties, such as high light absorption coefficient with weak optical anisotropy that becomes stronger when decreasing the thickness. It is further found that Ba4Al5 is also a suitable plasmonic material which can be used in the near-infrared frequency range.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2023. 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.
