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Enhanced piezoelectric effect in Janus group-III chalcogenide monolayers
Abstract
Piezoelectricity is a unique material property that converts mechanical energy into electricity or vice versa. Starting from the group-III monochalcogenide monolayers, we design a series of derivative Janus structures for piezoelectric materials, including Ga2SSe, Ga2STe, Ga2SeTe, In2SSe, In2STe, In2SeTe, GaInS2, GaInSe2, and GaInTe2. Our first-principles calculations show that these Janus structures are thermodynamically and dynamically stable. They have a bandgap in the range of 0.89–2.03 eV, lower than those of the perfect monolayers, and Ga2STe, Ga2SeTe, In2STe, and In2SeTe monolayers are direct gap semiconductors. They possess piezoelectric coefficients up to 8.47 pm/V, over four times the maximum value obtained in perfect group-III monochalcogenide monolayers. Moreover, the broken mirror symmetry of these Janus structures induces out-of-plane dipolar polarization, yielding additional out-of-plane piezoelectric coefficients of 0.07–0.46 pm/V. The enhanced piezoelectric properties enable the development of these novel two-dimensional materials for piezoelectric sensors and nanogenerators.
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Cites
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Piezoelectricity of single-atomic-layer MoS2 for energy conversion and piezotronics
Wu, W., Wang, L., Li, Y., Zhang, F., Lin, L., Niu, S., Chenet, D., Zhang, X., Hao, Y., Heinz, T. F., et al. (2014) · Nature · doi:10.1038/nature13792 · Cited by 2,287
Cited by
Emerging in‐plane anisotropic two‐dimensional materials
Li, L., Han, W., Pi, L., Niu, P., Han, J., Wang, C., Su, B., Li, H., Xiong, J., Bando, Y., et al. (2019) · InfoMat · doi:10.1002/inf2.12005 · Cited by 382
Metadata
- Authors
- Guo, Y., Zhou, S., Bai, Y., & Zhao, J.
- Venue
- Applied Physics Letters
- Publisher
- AIP Publishing
- Published
- 2017-04-17
- Volume
- 110
- Issue
- 16
- ISSN
- 0003-6951 (ISSN-L)
- 1077-3118
- OpenAlex
- W2605650997
- Cited by
- 440
- References
- 3
- FWCI
- 12.42
- Type
- journal article
- Language
- en
- Open access
- closed
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