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Published on: August 2, 2019
First-principles exploration of the electronic versatility of the GeH/SiSb heterostructure through stacking and
Nguyen Xuan Sang1,2, Khang D Pham3,4
1Atomic Molecular and Optical Physics Research Group, Institute for Advanced Study in Technology, Ton Duc Thang University Ho Chi Minh City Vietnam nguyenxuansang@tdtu.edu.vn.
Abstract:
Designing heterostructures is crucial for developing advanced materials with tailored properties for specific applications. In this study, we explored the intrinsic properties, stability, and tunability of the GeH/SiSb heterostructure through various stacking patterns and the application of electric fields. Our findings confirm that combining GeH and SiSb monolayers creates a stable heterostructure, as evidenced by phononic spectrum analysis, AIMD simulations, and mechanical property evaluations. Depending on the stacking patterns, the heterostructure exhibits either type-I or type-II band alignments. Additionally, the application of electric fields effectively modulates the band gap, facilitates transitions between type-I and type-II alignments, and transforms the band gap from indirect to direct. These findings underscore the versatility of the GeH/SiSb heterostructure for next-generation optoelectronic devices, offering precise electronic property control to enhance device performance.
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