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The electronic properties of C2N/antimonene heterostructure regulated by the horizontal and vertical strain, external electric field and interlayer twist

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成果类型:
期刊论文
作者:
Zhang, Y.;Deng, X. Q.;Jing, Q.;Zhang, Z. S.
通讯作者:
Deng, X
作者机构:
[Jing, Q.; Deng, X. Q.; Zhang, Y.; Zhang, Z. S.] Changsha Univ Sci & Technol, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Peoples R China.
通讯机构:
[Deng, X ] C
Changsha Univ Sci & Technol, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Peoples R China.
语种:
英文
关键词:
Heterostructure;Electronic properties;Strain;Electric field;Interlayer twist
期刊:
计算材料学(英文)
ISSN:
2057-3960
年:
2024
卷:
232
页码:
112669
基金类别:
Hunan Provincial Natural Science Foundation of China [2021JJ30733, 2020JJ4625]; Hunan Provincial Innovation Foundation for Postgraduate [CX20210828]; Open Search Fund of Human Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering [202008, 202013]
机构署名:
本校为第一且通讯机构
摘要:
The electronic properties of C2N/antimonene (Sb) van der Waals (vdW) heterostructure are investigated based on the density functional theory. The results show that the C2N/Sb vdW heterostructure behaves type-II band alignment with a direct Eg of 0.35 eV. The electronic structure can be adjusted by horizontal (vertical) strain, electric field, interlayer twist, and vertical strained-twisted cases, respectively. The horizontal strain shows a more extensive controlling range of Eg than the vertical strain, but the vertical strain adjusting shows better linear features than the horizontal strain. ...

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