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Exploring vibrational properties, Rashba spin splitting, and phonon-limited carrier mobility in Janus WBPX2 (X = S,
Tuan V Vu1,2, Le T Hoa3, Huynh V Phuc4
1Laboratory for Computational Physics, Institute for Computational Science and Artificial Intelligence, Van Lang University Ho Chi Minh City Vietnam tuan.vu@vlu.edu.vn.
RSC Advances
|May 25, 2026
Summary
Janus WBPX₂ monolayers are stable, two-dimensional semiconductors with potential for spintronics. Further research is needed to improve their carrier mobility for advanced electronic applications.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Two-dimensional (2D) Janus materials are gaining attention for next-generation electronics and spintronics.
- Janus WBPX₂ (X = S, Se, Te) monolayers present a novel class of 2D materials with potential multifunctional properties.
Purpose of the Study:
- To conduct a comprehensive first-principles investigation of Janus WBPX₂ monolayers.
- To evaluate their structural stability, vibrational characteristics, electronic properties, and carrier transport behavior.
Main Methods:
- First-principles calculations
- Cohesive energy calculations
- Phonon dispersion analysis
- Ab initio molecular dynamics simulations
- Electronic structure analysis including spin-orbit coupling
- Carrier transport analysis
Main Results:
- Janus WBPX₂ monolayers exhibit energetic and thermodynamic stability.
- These materials are semiconductors with moderate band gaps.
- Significant spin splitting and a pronounced Rashba effect were observed, indicating spintronic potential.
- Intrinsic carrier mobility is relatively low, limited by acoustic deformation potential scattering.
Conclusions:
- Janus WBPX₂ monolayers are stable 2D semiconductors with promising spintronic properties due to the Rashba effect.
- Their low carrier mobility necessitates further investigation for optimization in electronic devices.
- These findings contribute to understanding 2D materials for advanced nanoelectronic and spintronic technologies.
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