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Large Bulk Photovoltaic Effect and Spontaneous Polarization of Single-Layer Monochalcogenides
Open accessAbstract
We use a first-principles density functional theory approach to calculate the shift current and linear absorption of uniformly illuminated single-layer Ge and Sn monochalcogenides. We predict strong absorption in the visible spectrum and a large effective three-dimensional shift current (∼100 μA/V^{2}), larger than has been previously observed in other polar systems. Moreover, we show that the integral of the shift-current tensor is correlated to the large spontaneous effective three-dimensional electric polarization (∼1.9 C/m^{2}). Our calculations indicate that the shift current will be largest in the visible spectrum, suggesting that these monochalcogenides may be promising for polar optoelectronic devices. A Rice-Mele tight-binding model is used to rationalize the shift-current response for these systems, and its dependence on polarization, in general terms with implications for other polar materials.
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Cites
Shift current bulk photovoltaic effect in polar materials—hybrid and oxide perovskites and beyond
Tan, L. Z., Zheng, F., Young, S. M., Wang, F., Liu, S., & Rappe, A. M. (2016) · npj Computational Materials · doi:10.1038/npjcompumats.2016.26 · Cited by 393
Cited by
Wei, J., Li, Y., Wang, L., Liao, W., Dong, B., Xu, C., Zhu, C., Ang, K.-W., Qiu, C.-W., & Lee, C. (2020) · Nature Communications · doi:10.1038/s41467-020-20115-1 · Cited by 233
Giant topological longitudinal circular photo-galvanic effect in the chiral multifold semimetal CoSi
Ni, Z., Wang, K., Zhang, Y., Pozo, O., Xu, B., Han, X., Manna, K., Paglione, J., Felser, C., Grushin, A. G., et al. (2021) · Nature Communications · doi:10.1038/s41467-020-20408-5 · Cited by 170
Recent progress in the theory of bulk photovoltaic effect
Dai, Z., & Rappe, A. M. (2023) · Chemical Physics Reviews · doi:10.1063/5.0101513 · Cited by 162
Resonance-enhanced optical nonlinearity in the Weyl semimetal TaAs
Patankar, S., Wu, L., Lu, B., Rai, M., Tran, J. D., Morimoto, T., Parker, D. E., Grushin, A. G., Nair, N. L., Analytis, J. G., et al. (2018) · Physical Review B · doi:10.1103/physrevb.98.165113 · Cited by 116
Self-citationLight-Induced Currents at Domain Walls in Multiferroic BiFeO3
Guzelturk, B., Mei, A. B., Zhang, L., Tan, L. Z., Donahue, C. M., Singh, A. G., Schlom, D. G., Martin, L. W., & Lindenberg, A. M. (2020) · Nano Letters · doi:10.1021/acs.nanolett.9b03484 · Cited by 49
Metadata
- Authors
- Rangel, T., Fregoso, B. M., Mendoza, B. S., Morimoto, T., Moore, J. E., & Neaton, J. B.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2017-08-08
- Volume
- 119
- Issue
- 6
- Pages
- 067402-067402
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2541936208
- Cited by
- 292
- References
- 1
- FWCI
- 10.65
- Type
- journal article
- Language
- en
- Open access
- green
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- Rangel, T., Fregoso, B. M., Mendoza, B. S., Morimoto, T., Moore, J. E., & Neaton, J. B. (2017). Large Bulk Photovoltaic Effect and Spontaneous Polarization of Single-Layer Monochalcogenides. Physical Review Letters. https://doi.org/10.1103/physrevlett.119.067402
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