Modulating Blue Phosphorene by Synergetic Codoping: Indirect to Direct Gap Transition and Strong Bandgap Bowing
Abstract
Abstract The structural and electronic properties of synergistically modified blue phosphorene (BP) is investigated. The inversion and threefold rotational symmetries of BP are broken. The codoping of group IV and VI impurities can turn monolayer BP into direct bandgap semiconductors. The underlying physical mechanism is that group IV and VI impurities tailor the valence band maximum and conduction band minimum, respectively, and move them to Γ. All the bandgaps of monolayer, nanoribbons, and quantum dots of BP can be modulated in a wide range, and the strong bandgap bowing is found. In addition, the Coulomb interactions between the screened impurities are revealed. Lower formation energies indicate the fabricating practicability of synergeticly modified BP. Spin–orbit coupling (SOC) can also be tuned by the introduction of impurities.
- Authors:
-
- Shenzhen Univ. (China); Hong Kong University of Science and Technology (HKUST) (Hong Kong)
- Shenzhen Univ. (China)
- Hong Kong University of Science and Technology (HKUST) (Hong Kong)
- Rice Univ., Houston, TX (United States)
- Publication Date:
- Research Org.:
- Rice Univ., Houston, TX (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC); National Natural Sciences Foundation of China (NSFC); National Science Foundation (NSF) of Guangdong; Hong Kong RGC; US Army Research Office (ARO); US Department of the Navy, Office of Naval Research (ONR); R. Welch Foundation
- OSTI Identifier:
- 1611843
- Alternate Identifier(s):
- OSTI ID: 1492744
- Grant/Contract Number:
- SC0012547; 11774296; 1154217; 11734012; 11574218; 11504241; 2018A0303130311; 2016A030313059; 2017A010101018; JCYJ201811915; JCYJ201803053000266; JCYJ20160307142444674; JCYJ20160307111047701; 16300117; 16301816; W911NF-16-1-0255; N00014-15-1-2372; C-1590; DE‐SC0012547
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Advanced Functional Materials
- Additional Journal Information:
- Journal Volume: 29; Journal Issue: 11; Journal ID: ISSN 1616-301X
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; chemistry; science & technology; materials science; physics
Citation Formats
Tian, Xiaoqing, Duan, Jingyi, Wei, Yadong, Feng, Naixing, Wang, Xiangrong, Gong, Zhirui, Du, Yu, and Yakobson, Boris I. Modulating Blue Phosphorene by Synergetic Codoping: Indirect to Direct Gap Transition and Strong Bandgap Bowing. United States: N. p., 2019.
Web. doi:10.1002/adfm.201808721.
Tian, Xiaoqing, Duan, Jingyi, Wei, Yadong, Feng, Naixing, Wang, Xiangrong, Gong, Zhirui, Du, Yu, & Yakobson, Boris I. Modulating Blue Phosphorene by Synergetic Codoping: Indirect to Direct Gap Transition and Strong Bandgap Bowing. United States. https://doi.org/10.1002/adfm.201808721
Tian, Xiaoqing, Duan, Jingyi, Wei, Yadong, Feng, Naixing, Wang, Xiangrong, Gong, Zhirui, Du, Yu, and Yakobson, Boris I. Tue .
"Modulating Blue Phosphorene by Synergetic Codoping: Indirect to Direct Gap Transition and Strong Bandgap Bowing". United States. https://doi.org/10.1002/adfm.201808721. https://www.osti.gov/servlets/purl/1611843.
@article{osti_1611843,
title = {Modulating Blue Phosphorene by Synergetic Codoping: Indirect to Direct Gap Transition and Strong Bandgap Bowing},
author = {Tian, Xiaoqing and Duan, Jingyi and Wei, Yadong and Feng, Naixing and Wang, Xiangrong and Gong, Zhirui and Du, Yu and Yakobson, Boris I.},
abstractNote = {Abstract The structural and electronic properties of synergistically modified blue phosphorene (BP) is investigated. The inversion and threefold rotational symmetries of BP are broken. The codoping of group IV and VI impurities can turn monolayer BP into direct bandgap semiconductors. The underlying physical mechanism is that group IV and VI impurities tailor the valence band maximum and conduction band minimum, respectively, and move them to Γ. All the bandgaps of monolayer, nanoribbons, and quantum dots of BP can be modulated in a wide range, and the strong bandgap bowing is found. In addition, the Coulomb interactions between the screened impurities are revealed. Lower formation energies indicate the fabricating practicability of synergeticly modified BP. Spin–orbit coupling (SOC) can also be tuned by the introduction of impurities.},
doi = {10.1002/adfm.201808721},
journal = {Advanced Functional Materials},
number = 11,
volume = 29,
place = {United States},
year = {Tue Jan 29 00:00:00 EST 2019},
month = {Tue Jan 29 00:00:00 EST 2019}
}
Web of Science
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