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Published on: March 24, 2019
Topological phase transition and tunable surface states in YBi
Ramesh Kumar1, Mukhtiyar Singh1
1Department of Applied Physics, Delhi Technological University, New Delhi 110042, India.
Yttrium monobismuthide (YBi) is a trivial semimetal at ambient pressure. Applying pressure or epitaxial strain can induce topological phase transitions, making YBi a promising material for studying the link between extremely large magnetoresistance and topology.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Quantum Materials
Background:
- Non-magnetic rare-earth monopnictides exhibit extremely large magnetoresistance (XMR) and topological properties.
- Yttrium monobismuthide (YBi) shows XMR up to 10^5%, but its topological characteristics require further investigation.
Purpose of the Study:
- To investigate the structural, electronic, and topological properties of YBi using hybrid density functional theory.
- To clarify the topological nature of YBi and identify conditions for topological phase transitions.
Main Methods:
- Hybrid density functional theory calculations.
- Analysis of structural, electronic band structure, and surface band structure.
- Calculation of Z2 topological invariants using product of parities and Wannier charge centers.
Main Results:
- YBi is a topologically trivial semimetal at ambient pressure.
- Topological phase transitions from trivial to non-trivial occur at 6.5 GPa volumetric pressure and 3% epitaxial strain.
- These transitions occur below the structural phase transition pressure of YBi (24.5 GPa).
- The non-trivial state is characterized by band inversions between Y-d and Bi-p bands at Gamma and X points.
Conclusions:
- YBi can be tuned to a topological non-trivial phase via moderate pressure or epitaxial strain.
- The ability to achieve a non-trivial phase with small epitaxial strain makes YBi films ideal for exploring the relationship between XMR and topology.
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