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In2AB Janus Double-Layered Honeycomb Structures with Nontrivial Topology and Rashba Splitting (A, B = P, As, Sb, or
Joel D'Souza1, Ina Marie R Verzola1, Rovi Angelo B Villaos1,2,3
1Department of Physics, National Sun Yat-sen University, Kaohsiung 80424, Taiwan.
We discovered that indium-based compounds in a double-layer honeycomb structure are energetically stable. Three of these novel Janus materials exhibit nontrivial topology, paving the way for spintronics applications.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Quantum Phenomena
Background:
- Two-dimensional (2D) systems are crucial for nanoscale devices and quantum phenomena.
- Recent AlSb realization in double-layer honeycomb (DLHC) confirms stability of traditional semiconductors in DLHC at the ultrathin limit.
- This opens avenues for exploring robust DLHC materials.
Purpose of the Study:
- Investigate indium-based (InA) compounds in various configurations (wurtzite, zincblende, DLHC, AA).
- Explore topological properties of pristine and Janus InA structures.
- Identify novel materials for spintronics.
Main Methods:
- Computational study of InA compounds' energetic preferences.
- Topological invariant (Z2) calculations for pristine structures.
- Density Functional Theory (DFT) with HSE06 functional for Janus structures.
- Analysis of band gaps and edge states.
- Calculation of Rashba splitting.
Main Results:
- All pristine InA structures energetically favor the DLHC configuration.
- Pristine InA structures are topologically trivial.
- Janus In2AB compounds break inversion symmetry.
- Three Janus compounds (In2PSb, In2AsSb, In2BiSb) show nontrivial topology with significant band gaps (527, 456, 649 meV).
- Gapless edge states confirm nontrivial topology.
- In2PSb exhibits significant isotropic Rashba splitting (αR = 1.45 eV Å).
Conclusions:
- DLHC configuration is energetically preferred for InA compounds.
- Engineered Janus In2AB materials can exhibit nontrivial topology.
- These topological materials with Rashba splitting hold promise for spintronics applications.
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