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Investigation of electronic, dielectric, and plasmonic properties of two-dimensional electride Ba.sub.4Al.sub.5
Ist Teil von
The European physical journal. B, Condensed matter physics, 2023-01, Vol.96 (1)
Ort / Verlag
Springer
Erscheinungsjahr
2023
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
Ba.sub.4Al.sub.5 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 Ba.sub.4Al.sub.5 using the first-principles calculations. It is found that the metallic Ba.sub.4Al.sub.5 has a relatively low cleavage energy (~ 0.77 J/m.sup.2), suggesting a weak interlayer interaction and the easiness of exfoliation. Importantly, Ba.sub.4Al.sub.5 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 Ba.sub.4Al.sub.5 is also a suitable plasmonic material which can be used in the near-infrared frequency range.