https://doi.org/10.1140/epjp/s13360-023-04106-x
Regular Article
Tunable electronic properties of AlAs/InP heterostructure via external electric field and uniaxial strain
1
School of Materials Science and Engineering, Chang’an University, 710061, Xi’an, China
2
School of Materials Science and Engineering, Chang’an University, 710018, Xi’an, China
3
School of Information Engineering, Chang’an University, 710061, Xi’an, China
4
School of Physics, Shandong University, 250100, Jinan, China
5
Institute of Physics, Chinese Academy of Sciences, 100190, Beijing, China
Received:
29
November
2022
Accepted:
13
May
2023
Published online:
2
June
2023
In this study, first-principles calculations based on the density functional theory are used to systematically discuss the geometry structures and optoelectronic properties of the AlAs/InP van der Waals heterostructure (vdWH). According to our results, the AlAs/InP heterostructure is a sort of direct band gap semiconductor whose immanent type-II band arrangement can effectively prevent the recombination of photogenerated electron and hole pairs. Due to charge transfer and interlayer coupling, the optical absorption range and capability of the AlAs/InP heterostructure are significantly superior to AlAs and InP monolayers. In addition, the external electric field and uniaxial strain can effectively modify the band structure of the AlAs/InP heterostructure, arising semiconductor-to-metal and direct-gap to indirect-gap transitions. The above results illustrate that the AlAs/InP heterostructure possesses potential applications in nanoelectronic and optoelectronic devices.
Jiaheng Zhao and Lijun Luan contributed equally to this work.
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