Photogalvanic Effect in Nitrogen-Doped Monolayer MoS2 from First Principles
Abstract We investigate the photogalvanic effect in nitrogen-doped monolayer molybdenum disulfide (MoS2) under the perpendicular irradiation, using first-principles calculations combined with non-equilibrium Green function formalism. We provide a detailed analysis on the behavior of photoresponse ba...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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SpringerOpen
2019-12-01
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| Series: | Nanoscale Research Letters |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s11671-019-3222-5 |
| _version_ | 1797717009360748544 |
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| author | Wen-Ming Luo Zhi-Gang Shao Mou Yang |
| author_facet | Wen-Ming Luo Zhi-Gang Shao Mou Yang |
| author_sort | Wen-Ming Luo |
| collection | DOAJ |
| description | Abstract We investigate the photogalvanic effect in nitrogen-doped monolayer molybdenum disulfide (MoS2) under the perpendicular irradiation, using first-principles calculations combined with non-equilibrium Green function formalism. We provide a detailed analysis on the behavior of photoresponse based on the band structure and in particular the joint density of states. We thereby identify different mechanisms leading to the existence of zero points, where the photocurrent vanishes. In particular, while the zero point in the linear photovoltaic effect is due to forbidden transition, their appearance in the circular photovoltaic effect results from the identical intensity splitting of the valance band and the conduction band in the presence of Rashba and Dresslhaus spin-orbit coupling. Furthermore, our results reveal a strong circular photogalvanic effect of nitrogen-doped monolayer MoS2, which is two orders of magnitude larger than that induced by the linearly polarized light. |
| first_indexed | 2024-03-12T08:29:57Z |
| format | Article |
| id | doaj.art-9bd57f531758480f8955c2f8437f465e |
| institution | Directory Open Access Journal |
| issn | 1931-7573 1556-276X |
| language | English |
| last_indexed | 2024-03-12T08:29:57Z |
| publishDate | 2019-12-01 |
| publisher | SpringerOpen |
| record_format | Article |
| series | Nanoscale Research Letters |
| spelling | doaj.art-9bd57f531758480f8955c2f8437f465e2023-09-02T17:49:46ZengSpringerOpenNanoscale Research Letters1931-75731556-276X2019-12-011411810.1186/s11671-019-3222-5Photogalvanic Effect in Nitrogen-Doped Monolayer MoS2 from First PrinciplesWen-Ming Luo0Zhi-Gang Shao1Mou Yang2Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, GPETR Center for Quantum Precision Measurement, Guangdong Engineering Technology Research Center of Efficient Green Energy and Environment Protection Materials, SPTE, South China Normal UniversityGuangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, GPETR Center for Quantum Precision Measurement, Guangdong Engineering Technology Research Center of Efficient Green Energy and Environment Protection Materials, SPTE, South China Normal UniversityGuangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, GPETR Center for Quantum Precision Measurement, Guangdong Engineering Technology Research Center of Efficient Green Energy and Environment Protection Materials, SPTE, South China Normal UniversityAbstract We investigate the photogalvanic effect in nitrogen-doped monolayer molybdenum disulfide (MoS2) under the perpendicular irradiation, using first-principles calculations combined with non-equilibrium Green function formalism. We provide a detailed analysis on the behavior of photoresponse based on the band structure and in particular the joint density of states. We thereby identify different mechanisms leading to the existence of zero points, where the photocurrent vanishes. In particular, while the zero point in the linear photovoltaic effect is due to forbidden transition, their appearance in the circular photovoltaic effect results from the identical intensity splitting of the valance band and the conduction band in the presence of Rashba and Dresslhaus spin-orbit coupling. Furthermore, our results reveal a strong circular photogalvanic effect of nitrogen-doped monolayer MoS2, which is two orders of magnitude larger than that induced by the linearly polarized light.https://doi.org/10.1186/s11671-019-3222-5Photogalvanic effectN-doped monolayer MoS2Asymmetry of spatial inversionJoint density of states |
| spellingShingle | Wen-Ming Luo Zhi-Gang Shao Mou Yang Photogalvanic Effect in Nitrogen-Doped Monolayer MoS2 from First Principles Nanoscale Research Letters Photogalvanic effect N-doped monolayer MoS2 Asymmetry of spatial inversion Joint density of states |
| title | Photogalvanic Effect in Nitrogen-Doped Monolayer MoS2 from First Principles |
| title_full | Photogalvanic Effect in Nitrogen-Doped Monolayer MoS2 from First Principles |
| title_fullStr | Photogalvanic Effect in Nitrogen-Doped Monolayer MoS2 from First Principles |
| title_full_unstemmed | Photogalvanic Effect in Nitrogen-Doped Monolayer MoS2 from First Principles |
| title_short | Photogalvanic Effect in Nitrogen-Doped Monolayer MoS2 from First Principles |
| title_sort | photogalvanic effect in nitrogen doped monolayer mos2 from first principles |
| topic | Photogalvanic effect N-doped monolayer MoS2 Asymmetry of spatial inversion Joint density of states |
| url | https://doi.org/10.1186/s11671-019-3222-5 |
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