Details

Autor(en) / Beteiligte

• Yang, Hao
• Cao, Xinyu
• Fang, Zhenghui
• Chen, Zhengwei
• Yin, Feifei
• Zhang, Xiao

Titel

Investigation of electronic, dielectric, and plasmonic properties of two-dimensional electride Ba4Al5

Ist Teil von

• The European physical journal. B, Condensed matter physics, 2023, Vol.96 (1), Article 3

Ort / Verlag

Berlin/Heidelberg: Springer Berlin Heidelberg

Erscheinungsjahr

2023

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Ba 4 Al 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 4 Al 5 using the first-principles calculations. It is found that the metallic Ba 4 Al 5 has a relatively low cleavage energy (~ 0.77 J/m 2 ), suggesting a weak interlayer interaction and the easiness of exfoliation. Importantly, Ba 4 Al 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 4 Al 5 is also a suitable plasmonic material which can be used in the near-infrared frequency range. Graphical abstract