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Large-band-gap non-Dirac quantum spin Hall states and strong Rashba effect in functionalized thallene films
Xiaojuan Liu1, Zhijian Li1, Hairui Bao1
1State Key Laboratory of Surface Physics, Key Laboratory of Computational Physical Sciences (MOE), Department of Physics, Fudan University, Shanghai, 200433, China.
Scientific Reports
|September 25, 2023
Summary
Functionalized thallene films exhibit non-Dirac quantum spin Hall states due to hydrogenation and spin-orbit coupling. These materials offer potential for room-temperature spintronic and topological electronic devices.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Quantum Chemistry
Background:
- Quantum spin Hall (QSH) state materials are crucial for spintronics.
- Thallene films are promising candidates for novel electronic applications.
- Hydrogenation significantly impacts material properties.
Purpose of the Study:
- Investigate the electronic and topological properties of hydrogenated thallene films.
- Explore the potential of these materials for spintronic devices.
- Understand the role of hydrogenation and spin-orbit coupling in tuning material behavior.
Main Methods:
- Density functional theory (DFT) calculations.
- Crystal field theory analysis.
- Investigation of spin-orbit coupling (SOC) effects.
Main Results:
- Two hydrogenation styles (Tl2H and Tl2H2) create distinct electronic and topological behaviors.
- Non-Dirac QSH states emerge due to SOC, with Tl2H exhibiting a large band gap (855 meV).
- Both Tl2H and Tl2H2 show strong Rashba spin splitting, tunable via strain and electric fields.
Conclusions:
- Hydrogenated thallene films are viable platforms for non-Dirac QSH states.
- The tunable Rashba effect in these films is promising for device applications.
- These findings pave the way for room-temperature spintronic and topological electronic devices.
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