A type-II WSe2/HfSe2 van der Waals heterostructure with adjustable electronic and optical properties
The construction of van der Waals (vdW) heterostructures is an efficient strategy for attaining more desired specifications. According to first-principles calculations, the WSe2/HfSe2 vdW heterostructure has an indirect band gap from K point to M point with the value of 0.21 eV. A conventional type-...
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| Format: | Article |
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Elsevier
2021-06-01
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| Series: | Results in Physics |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379721003909 |
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| author | Weiwei Ju Yi Zhang Tongwei Li Donghui Wang Enqin Zhao Guangxiong Hu Yanmin Xu Haisheng Li |
| author_facet | Weiwei Ju Yi Zhang Tongwei Li Donghui Wang Enqin Zhao Guangxiong Hu Yanmin Xu Haisheng Li |
| author_sort | Weiwei Ju |
| collection | DOAJ |
| description | The construction of van der Waals (vdW) heterostructures is an efficient strategy for attaining more desired specifications. According to first-principles calculations, the WSe2/HfSe2 vdW heterostructure has an indirect band gap from K point to M point with the value of 0.21 eV. A conventional type-II band alignment is constructed for the WSe2/HfSe2 heterostructure, where the electrons and holes are placed in HfSe2 and WSe2 layers, respectively, facilitating the efficient separation of photo-generated electron and hole pairs. Although both WSe2 and HfSe2 monolayers were highly insulating, Kashiwabara group found that WSe2/HfSe2 heterostructure were highly conducting [Adv. Funct. Mater. 2019, 29, 1900354]. Our calculated results suggest that the strain and external electric field can lead to the transition from semiconductor to metal, resulting in high conductivity. The band alignment transition from type-II to type-I can also be obtained by means of in-plane strains and external electric field. The interlayer coupling only affects the values of band gap. Moreover, the investigation on the optical properties shows that the optical absorption intensity of WSe2/HfSe2 heterostructure can attain the order of 105. These findings indicate that the WSe2/HfSe2 vdW heterostructure is promising for efficient optoelectronic nanodevices. |
| first_indexed | 2024-12-21T20:59:44Z |
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| id | doaj.art-e645f4d7eda24b1da4887c0bb6a436e9 |
| institution | Directory Open Access Journal |
| issn | 2211-3797 |
| language | English |
| last_indexed | 2024-12-21T20:59:44Z |
| publishDate | 2021-06-01 |
| publisher | Elsevier |
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| series | Results in Physics |
| spelling | doaj.art-e645f4d7eda24b1da4887c0bb6a436e92022-12-21T18:50:28ZengElsevierResults in Physics2211-37972021-06-0125104250A type-II WSe2/HfSe2 van der Waals heterostructure with adjustable electronic and optical propertiesWeiwei Ju0Yi Zhang1Tongwei Li2Donghui Wang3Enqin Zhao4Guangxiong Hu5Yanmin Xu6Haisheng Li7College of Physics and Engineering, Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, Henan University of Science and Technology, Luoyang 471023, China; Provincial and Ministerial Co-construction of Collaborative Innovation Center for Non-ferrous Metal New Materials and Advanced Processing Technology, Luoyang 471023, China; Corresponding author at: College of Physics and Engineering, Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, Henan University of Science and Technology, Luoyang 471023, China.College of Physics and Engineering, Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, Henan University of Science and Technology, Luoyang 471023, ChinaCollege of Physics and Engineering, Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, Henan University of Science and Technology, Luoyang 471023, ChinaCollege of Physics and Engineering, Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, Henan University of Science and Technology, Luoyang 471023, ChinaCollege of Physics and Engineering, Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, Henan University of Science and Technology, Luoyang 471023, ChinaCollege of Physics and Engineering, Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, Henan University of Science and Technology, Luoyang 471023, ChinaCollege of Physics and Engineering, Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, Henan University of Science and Technology, Luoyang 471023, ChinaCollege of Physics and Engineering, Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, Henan University of Science and Technology, Luoyang 471023, ChinaThe construction of van der Waals (vdW) heterostructures is an efficient strategy for attaining more desired specifications. According to first-principles calculations, the WSe2/HfSe2 vdW heterostructure has an indirect band gap from K point to M point with the value of 0.21 eV. A conventional type-II band alignment is constructed for the WSe2/HfSe2 heterostructure, where the electrons and holes are placed in HfSe2 and WSe2 layers, respectively, facilitating the efficient separation of photo-generated electron and hole pairs. Although both WSe2 and HfSe2 monolayers were highly insulating, Kashiwabara group found that WSe2/HfSe2 heterostructure were highly conducting [Adv. Funct. Mater. 2019, 29, 1900354]. Our calculated results suggest that the strain and external electric field can lead to the transition from semiconductor to metal, resulting in high conductivity. The band alignment transition from type-II to type-I can also be obtained by means of in-plane strains and external electric field. The interlayer coupling only affects the values of band gap. Moreover, the investigation on the optical properties shows that the optical absorption intensity of WSe2/HfSe2 heterostructure can attain the order of 105. These findings indicate that the WSe2/HfSe2 vdW heterostructure is promising for efficient optoelectronic nanodevices.http://www.sciencedirect.com/science/article/pii/S2211379721003909vdW heterostructureBand alignmentSemimetalOptical absorption strengthFirst-principles calculations |
| spellingShingle | Weiwei Ju Yi Zhang Tongwei Li Donghui Wang Enqin Zhao Guangxiong Hu Yanmin Xu Haisheng Li A type-II WSe2/HfSe2 van der Waals heterostructure with adjustable electronic and optical properties Results in Physics vdW heterostructure Band alignment Semimetal Optical absorption strength First-principles calculations |
| title | A type-II WSe2/HfSe2 van der Waals heterostructure with adjustable electronic and optical properties |
| title_full | A type-II WSe2/HfSe2 van der Waals heterostructure with adjustable electronic and optical properties |
| title_fullStr | A type-II WSe2/HfSe2 van der Waals heterostructure with adjustable electronic and optical properties |
| title_full_unstemmed | A type-II WSe2/HfSe2 van der Waals heterostructure with adjustable electronic and optical properties |
| title_short | A type-II WSe2/HfSe2 van der Waals heterostructure with adjustable electronic and optical properties |
| title_sort | type ii wse2 hfse2 van der waals heterostructure with adjustable electronic and optical properties |
| topic | vdW heterostructure Band alignment Semimetal Optical absorption strength First-principles calculations |
| url | http://www.sciencedirect.com/science/article/pii/S2211379721003909 |
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