Qin Zhang, Pei Chen, Qin Liu, He Huang, Xiaoyang Ma, Tingting Song, Jiehong Lei
{"title":"双轴应变和外电场作用下C3N/WSe2范德华异质结构中的可调谐电子结构","authors":"Qin Zhang, Pei Chen, Qin Liu, He Huang, Xiaoyang Ma, Tingting Song, Jiehong Lei","doi":"10.1140/epjp/s13360-023-04556-3","DOIUrl":null,"url":null,"abstract":"<div><p>Van der Waals heterostructures have a wide range of applications in the semiconductor industry. Based on the superior properties of C<sub>3</sub>N and WSe<sub>2</sub> monolayers, the stability and electronic properties of C<sub>3</sub>N/WSe<sub>2</sub> vdW heterostructure under strain and external electric field are studied using density functional theory. The results show that the C<sub>3</sub>N/WSe<sub>2</sub> vdW heterostructure has a type-I band alignment and possesses a direct band gap of 0.397 eV. Furthermore, the electric field and biaxial strain not only modulate the C<sub>3</sub>N/WSe<sub>2</sub> band gap, but also induce band alignment (type I to type II) and a direct gap to an indirect gap transition, even undergoing semiconductor-to-metal transition. These results suggest that tunable electronic properties of C<sub>3</sub>N/WSe<sub>2</sub> heterostructure has the potential to be applied in semiconductor devices, especially optoelectronic devices.</p><h3>Graphical abstract</h3>\n <div><figure><div><div><picture><source><img></source></picture></div></div></figure></div>\n </div>","PeriodicalId":792,"journal":{"name":"The European Physical Journal Plus","volume":"138 11","pages":""},"PeriodicalIF":2.8000,"publicationDate":"2023-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Tunable electronic structures in C3N/WSe2 van der Waals heterostructure by biaxial strain and external electric field\",\"authors\":\"Qin Zhang, Pei Chen, Qin Liu, He Huang, Xiaoyang Ma, Tingting Song, Jiehong Lei\",\"doi\":\"10.1140/epjp/s13360-023-04556-3\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Van der Waals heterostructures have a wide range of applications in the semiconductor industry. Based on the superior properties of C<sub>3</sub>N and WSe<sub>2</sub> monolayers, the stability and electronic properties of C<sub>3</sub>N/WSe<sub>2</sub> vdW heterostructure under strain and external electric field are studied using density functional theory. The results show that the C<sub>3</sub>N/WSe<sub>2</sub> vdW heterostructure has a type-I band alignment and possesses a direct band gap of 0.397 eV. Furthermore, the electric field and biaxial strain not only modulate the C<sub>3</sub>N/WSe<sub>2</sub> band gap, but also induce band alignment (type I to type II) and a direct gap to an indirect gap transition, even undergoing semiconductor-to-metal transition. These results suggest that tunable electronic properties of C<sub>3</sub>N/WSe<sub>2</sub> heterostructure has the potential to be applied in semiconductor devices, especially optoelectronic devices.</p><h3>Graphical abstract</h3>\\n <div><figure><div><div><picture><source><img></source></picture></div></div></figure></div>\\n </div>\",\"PeriodicalId\":792,\"journal\":{\"name\":\"The European Physical Journal Plus\",\"volume\":\"138 11\",\"pages\":\"\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2023-11-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"The European Physical Journal Plus\",\"FirstCategoryId\":\"4\",\"ListUrlMain\":\"https://link.springer.com/article/10.1140/epjp/s13360-023-04556-3\",\"RegionNum\":3,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"The European Physical Journal Plus","FirstCategoryId":"4","ListUrlMain":"https://link.springer.com/article/10.1140/epjp/s13360-023-04556-3","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
Tunable electronic structures in C3N/WSe2 van der Waals heterostructure by biaxial strain and external electric field
Van der Waals heterostructures have a wide range of applications in the semiconductor industry. Based on the superior properties of C3N and WSe2 monolayers, the stability and electronic properties of C3N/WSe2 vdW heterostructure under strain and external electric field are studied using density functional theory. The results show that the C3N/WSe2 vdW heterostructure has a type-I band alignment and possesses a direct band gap of 0.397 eV. Furthermore, the electric field and biaxial strain not only modulate the C3N/WSe2 band gap, but also induce band alignment (type I to type II) and a direct gap to an indirect gap transition, even undergoing semiconductor-to-metal transition. These results suggest that tunable electronic properties of C3N/WSe2 heterostructure has the potential to be applied in semiconductor devices, especially optoelectronic devices.
期刊介绍：
The aims of this peer-reviewed online journal are to distribute and archive all relevant material required to document, assess, validate and reconstruct in detail the body of knowledge in the physical and related sciences.
The scope of EPJ Plus encompasses a broad landscape of fields and disciplines in the physical and related sciences - such as covered by the topical EPJ journals and with the explicit addition of geophysics, astrophysics, general relativity and cosmology, mathematical and quantum physics, classical and fluid mechanics, accelerator and medical physics, as well as physics techniques applied to any other topics, including energy, environment and cultural heritage.
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