201. Strong out-of-plane piezoelectricity and Rashba-type spin splitting in asymmetric structures: first-principles study for Janus γ-Sn2OX (X = S, Se, Te) monolayers.
- Author
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Vu, Tuan V., Anh, Nguyen P.Q., Phuc, Huynh V., Kartamyshev, A. I., and Hieu, Nguyen N.
- Subjects
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PIEZOELECTRICITY , *MONOMOLECULAR films , *ELECTRON mobility , *SPIN-orbit interactions , *ELECTRONIC structure - Abstract
In this paper, we propose a series of two-dimensional asymmetric Janus γ-Sn2OX (X = S, Se, Te) monolayers and systematically calculate the electronic structure, piezoelectricity, and mobility of carriers by using the first-principles method. It is predicted that while γ-Sn2OS and γ-Sn2OSe monolayers are structurally stable, Janus γ-Sn2OTe is found to be unstable with the negative frequencies appearing in its phonon spectrum. Both γ-Sn2OS and γ-Sn2OSe monolayers are semiconductors with indirect bandgaps. Particularly, γ-Sn2OS has a camel's back-like structure in the top valence band and Rashba spin splitting with a Rashba energy of 3.50 meV is found in γ-Sn2OS when the spin-orbit coupling is taken into account. Our calculated results reveal that the Janus γ-Sn2OS and γ-Sn2OSe monolayers are piezoelectric with out-of-plane piezoelectric coefficient d31 predicted to be 0.18 and 0.26 pm V−1, respectively. It is also indicated that γ-Sn2OS and γ-Sn2OSe exhibit highly directionally anisotropic carrier mobility and their electron mobilities are high enough for applications in nanoelectronic devices. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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