Single-layer ZnGaInS4: Desirable bandgap and high carrier separation efficiency for optoelectronics
Two-dimensional optoelectronic materials with desirable bandgaps and high carrier separation efficiency are in urgent need. Herein, single-layer ZnGaInS4 is designed and thoroughly studied by first-principles calculations. Our calculations reveal the excellent stability of single-layer ZnGaInS4, and...
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-08-01
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| Series: | Results in Physics |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379723004515 |
| _version_ | 1797755012390060032 |
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| author | Xin-Yi Yang Yi-Feng Sun Guo-Ting Nan Zhi Long Xiao-Jun Yan De-Fen Li Li-Li Liu Shi-Fa Wang Xiao-Zhi Wu Lei Hu |
| author_facet | Xin-Yi Yang Yi-Feng Sun Guo-Ting Nan Zhi Long Xiao-Jun Yan De-Fen Li Li-Li Liu Shi-Fa Wang Xiao-Zhi Wu Lei Hu |
| author_sort | Xin-Yi Yang |
| collection | DOAJ |
| description | Two-dimensional optoelectronic materials with desirable bandgaps and high carrier separation efficiency are in urgent need. Herein, single-layer ZnGaInS4 is designed and thoroughly studied by first-principles calculations. Our calculations reveal the excellent stability of single-layer ZnGaInS4, and the small cleavage energy demonstrates the feasibility to exfoliate single-layer ZnGaInS4 from bulk counterparts. At the HSE06 level, single-layer ZnGaInS4 has a moderate bandgap of 2.05 eV, and its valence band maximum and conduction band minimum are spatially separated, thus impeding the electron-hole pair formation and enhancing the photoelectronic performance. In the visible region, single-layer ZnGaInS4 exhibits an optical absorption coefficient of ∼ 105 cm−1. Notably, single-layer ZnGaInS4 possesses high electron carrier mobility and low hole carrier mobility, further affirming the effective carrier separation. Another attractive characteristic is that single-layer ZnGaInS4 has anisotropic hole mobility. The desirable bandgap and high separation efficiency of generated carriers, together with abundant optical absorption, promise single-layer ZnGaInS4 is a hopeful candidate in atomic-thick optoelectronic devices. |
| first_indexed | 2024-03-12T17:41:46Z |
| format | Article |
| id | doaj.art-818659318dc643e9ae268ebb7d0910c5 |
| institution | Directory Open Access Journal |
| issn | 2211-3797 |
| language | English |
| last_indexed | 2024-03-12T17:41:46Z |
| publishDate | 2023-08-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Physics |
| spelling | doaj.art-818659318dc643e9ae268ebb7d0910c52023-08-04T05:47:09ZengElsevierResults in Physics2211-37972023-08-0151106658Single-layer ZnGaInS4: Desirable bandgap and high carrier separation efficiency for optoelectronicsXin-Yi Yang0Yi-Feng Sun1Guo-Ting Nan2Zhi Long3Xiao-Jun Yan4De-Fen Li5Li-Li Liu6Shi-Fa Wang7Xiao-Zhi Wu8Lei Hu9College of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, ChinaCollege of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, ChinaCollege of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China; College of Computer Science and Engineering, Chongqing Three Gorges University, Chongqing 404100, ChinaCollege of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, ChinaCollege of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China; College of Computer Science and Engineering, Chongqing Three Gorges University, Chongqing 404100, ChinaCollege of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China; College of Teacher Education, Chongqing Three Gorges University, Chongqing 404100, ChinaCollege of Teacher Education, Chongqing Three Gorges University, Chongqing 404100, China; Institute for Structure and Function, Chongqing University, Chongqing 401331, China; Corresponding authors at: College of Teacher Education, Chongqing Three Gorges University, Chongqing 404100, China (L.L. Liu).College of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, ChinaInstitute for Structure and Function, Chongqing University, Chongqing 401331, China; Corresponding authors at: College of Teacher Education, Chongqing Three Gorges University, Chongqing 404100, China (L.L. Liu).College of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China; Corresponding authors at: College of Teacher Education, Chongqing Three Gorges University, Chongqing 404100, China (L.L. Liu).Two-dimensional optoelectronic materials with desirable bandgaps and high carrier separation efficiency are in urgent need. Herein, single-layer ZnGaInS4 is designed and thoroughly studied by first-principles calculations. Our calculations reveal the excellent stability of single-layer ZnGaInS4, and the small cleavage energy demonstrates the feasibility to exfoliate single-layer ZnGaInS4 from bulk counterparts. At the HSE06 level, single-layer ZnGaInS4 has a moderate bandgap of 2.05 eV, and its valence band maximum and conduction band minimum are spatially separated, thus impeding the electron-hole pair formation and enhancing the photoelectronic performance. In the visible region, single-layer ZnGaInS4 exhibits an optical absorption coefficient of ∼ 105 cm−1. Notably, single-layer ZnGaInS4 possesses high electron carrier mobility and low hole carrier mobility, further affirming the effective carrier separation. Another attractive characteristic is that single-layer ZnGaInS4 has anisotropic hole mobility. The desirable bandgap and high separation efficiency of generated carriers, together with abundant optical absorption, promise single-layer ZnGaInS4 is a hopeful candidate in atomic-thick optoelectronic devices.http://www.sciencedirect.com/science/article/pii/S2211379723004515Two-Dimensional MaterialsSingle-Layer ZnGaInS4Carrier MobilityOptoelectronic MaterialsFirst-Principles |
| spellingShingle | Xin-Yi Yang Yi-Feng Sun Guo-Ting Nan Zhi Long Xiao-Jun Yan De-Fen Li Li-Li Liu Shi-Fa Wang Xiao-Zhi Wu Lei Hu Single-layer ZnGaInS4: Desirable bandgap and high carrier separation efficiency for optoelectronics Results in Physics Two-Dimensional Materials Single-Layer ZnGaInS4 Carrier Mobility Optoelectronic Materials First-Principles |
| title | Single-layer ZnGaInS4: Desirable bandgap and high carrier separation efficiency for optoelectronics |
| title_full | Single-layer ZnGaInS4: Desirable bandgap and high carrier separation efficiency for optoelectronics |
| title_fullStr | Single-layer ZnGaInS4: Desirable bandgap and high carrier separation efficiency for optoelectronics |
| title_full_unstemmed | Single-layer ZnGaInS4: Desirable bandgap and high carrier separation efficiency for optoelectronics |
| title_short | Single-layer ZnGaInS4: Desirable bandgap and high carrier separation efficiency for optoelectronics |
| title_sort | single layer zngains4 desirable bandgap and high carrier separation efficiency for optoelectronics |
| topic | Two-Dimensional Materials Single-Layer ZnGaInS4 Carrier Mobility Optoelectronic Materials First-Principles |
| url | http://www.sciencedirect.com/science/article/pii/S2211379723004515 |
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