| Tunable electronic and optical properties of monolayer β-MTe (M = Si, Sn) under mechanical strain and electric fields |
Tran The Quang1
, Nguyen Hoang Linh2,3, Dinh The Hung4, Do Van Truong5 |
1Faculty of Technology and Engineering, Thai Binh University, Hung Yen, 17000, Vietnam
2Department of Materials Convergence and System Engineering, Changwon National University, Changwon, 51140, Republic of Korea
3Semiconductor Materials Center, Korea Institute of Ceramic Engineering and Technology, Jinju, 52851, Republic of Korea
4Phenikaa School of Engineering, Phenikaa University, Hanoi, 100000, Vietnam
5School of Mechanical Engineering, Hanoi University of Science and Technology, Hanoi, 10000, Vietnam |
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Received: February 26, 2025; Revised: July 5, 2025 Accepted: August 2, 2025. Published online: August 18, 2025. |
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| ABSTRACT |
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Tunable electronic and optical properties of monolayer β-MTe (M = Si, Sn) under mechanical strain and electric fields
In this study, we employed density functional theory (DFT) to investigate the tunable electronic and optical properties of 2D monochalcogenide monolayers β-MTe (M = Si, Sn) under mechanical strain and external electric fields. Our results reveal that these materials exhibit highly anisotropic mechanical properties, with anisotropy coefficients κ of 0.222 for β-SiTe and 0.216 for β-SnTe. The fracture strengths in the armchair and zigzag directions are 1.85 N/m and 1.91 N/m for β-SiTe, and 2.62 N/m and 1.50 N/m for β-SnTe. Both β-SiTe and β-SnTe are direct semiconductors at equilibrium, with bandgaps of 1.39 eV and 1.69 eV, respectively. Notably, their electronic properties are highly sensitive to external stimuli, showing significant changes in energy band structures. Furthermore, the refractive index and optical reflectivity in the infrared region exhibit a marked decrease under strain but remain largely unaffected by electric fields. These findings provide crucial insights into the modulation of electronic and optical behaviors in β-MTe monolayers, highlighting their potential for integration into next-generation microelectronic and optoelectronic devices. |
| Key words:
Mechanical strain · Tunable electronic properties · Optical properties · Monolayer β-MTe (M = Si, Sn) · Density functional theory |
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