Benchmark Investigation of Band-Gap Tunability of Monolayer Semiconductors under Hydrostatic Pressure with Focus-On Antimony
In this paper, the band-gap tunability of three monolayer semiconductors under hydrostatic pressure was intensively investigated based on first-principle simulations with a focus on monolayer antimony (Sb) as a semiconductor nanomaterial. As the benchmark study, monolayer black phosphorus (BP) and m...
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MDPI AG
2020-10-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/10/11/2154 |
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| author | Xiangyu Dai Zhengfang Qian Qiaolu Lin Le Chen Renheng Wang Yiling Sun |
| author_facet | Xiangyu Dai Zhengfang Qian Qiaolu Lin Le Chen Renheng Wang Yiling Sun |
| author_sort | Xiangyu Dai |
| collection | DOAJ |
| description | In this paper, the band-gap tunability of three monolayer semiconductors under hydrostatic pressure was intensively investigated based on first-principle simulations with a focus on monolayer antimony (Sb) as a semiconductor nanomaterial. As the benchmark study, monolayer black phosphorus (BP) and monolayer molybdenum disulfide (MoS<sub>2</sub>) were also investigated for comparison. Our calculations showed that the band-gap tunability of the monolayer Sb was much more sensitive to hydrostatic pressure than that of the monolayer BP and MoS<sub>2</sub>. Furthermore, the monolayer Sb was predicted to change from an indirect band-gap semiconductor to a conductor and to transform into a double-layer nanostructure above a critical pressure value ranging from 3 to 5 GPa. This finding opens an opportunity for nanoelectronic, flexible electronics and optoelectronic devices as well as sensors with the capabilities of deep band-gap tunability and semiconductor-to-metal transition by applying mechanical pressure. |
| first_indexed | 2024-03-10T15:15:58Z |
| format | Article |
| id | doaj.art-93b35016b51f4a6c8502cb74a12c07ee |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-10T15:15:58Z |
| publishDate | 2020-10-01 |
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| series | Nanomaterials |
| spelling | doaj.art-93b35016b51f4a6c8502cb74a12c07ee2023-11-20T18:57:15ZengMDPI AGNanomaterials2079-49912020-10-011011215410.3390/nano10112154Benchmark Investigation of Band-Gap Tunability of Monolayer Semiconductors under Hydrostatic Pressure with Focus-On AntimonyXiangyu Dai0Zhengfang Qian1Qiaolu Lin2Le Chen3Renheng Wang4Yiling Sun5Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, ChinaKey Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, ChinaKey Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, ChinaSchool of Physics and Telecommunication Engineering, Guangxi Colleges and Universities Key Lab of Complex System Optimization and Big Data Processing, Yulin Normal University, Yulin 537400, ChinaKey Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, ChinaKey Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, ChinaIn this paper, the band-gap tunability of three monolayer semiconductors under hydrostatic pressure was intensively investigated based on first-principle simulations with a focus on monolayer antimony (Sb) as a semiconductor nanomaterial. As the benchmark study, monolayer black phosphorus (BP) and monolayer molybdenum disulfide (MoS<sub>2</sub>) were also investigated for comparison. Our calculations showed that the band-gap tunability of the monolayer Sb was much more sensitive to hydrostatic pressure than that of the monolayer BP and MoS<sub>2</sub>. Furthermore, the monolayer Sb was predicted to change from an indirect band-gap semiconductor to a conductor and to transform into a double-layer nanostructure above a critical pressure value ranging from 3 to 5 GPa. This finding opens an opportunity for nanoelectronic, flexible electronics and optoelectronic devices as well as sensors with the capabilities of deep band-gap tunability and semiconductor-to-metal transition by applying mechanical pressure.https://www.mdpi.com/2079-4991/10/11/2154monolayer antimonyband-gap tunabilityfirst principleoptoelectronics |
| spellingShingle | Xiangyu Dai Zhengfang Qian Qiaolu Lin Le Chen Renheng Wang Yiling Sun Benchmark Investigation of Band-Gap Tunability of Monolayer Semiconductors under Hydrostatic Pressure with Focus-On Antimony Nanomaterials monolayer antimony band-gap tunability first principle optoelectronics |
| title | Benchmark Investigation of Band-Gap Tunability of Monolayer Semiconductors under Hydrostatic Pressure with Focus-On Antimony |
| title_full | Benchmark Investigation of Band-Gap Tunability of Monolayer Semiconductors under Hydrostatic Pressure with Focus-On Antimony |
| title_fullStr | Benchmark Investigation of Band-Gap Tunability of Monolayer Semiconductors under Hydrostatic Pressure with Focus-On Antimony |
| title_full_unstemmed | Benchmark Investigation of Band-Gap Tunability of Monolayer Semiconductors under Hydrostatic Pressure with Focus-On Antimony |
| title_short | Benchmark Investigation of Band-Gap Tunability of Monolayer Semiconductors under Hydrostatic Pressure with Focus-On Antimony |
| title_sort | benchmark investigation of band gap tunability of monolayer semiconductors under hydrostatic pressure with focus on antimony |
| topic | monolayer antimony band-gap tunability first principle optoelectronics |
| url | https://www.mdpi.com/2079-4991/10/11/2154 |
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