Journal
CHINESE JOURNAL OF PHYSICS
Volume 67, Issue -, Pages 246-252Publisher
ELSEVIER
DOI: 10.1016/j.cjph.2020.07.007
Keywords
Quantum anomalous Hall effect; Topological phase transition; GaBi honeycomb; Electronic structures; First-principles calculations
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Funding
- National Center for Theoretical Sciences [MOST-107-2628-M-110-001-MY3, MOST 109-2112-M-001-014-MY3]
- Ministry of Science and Technology of Taiwan [MOST-107-2628-M-110-001-MY3, MOST 109-2112-M-001-014-MY3]
- US Department of Energy (DOE), Office of Science, Basic Energy Sciences [DE-FG0207ER46352]
- NERSC supercomputing center through DOE grant [DE-AC02-05CH11231]
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We discuss electronic and magnetic properties of the Fe-doped GaBi honeycomb using first principles calculations. Our analysis shows that the pristine GaBi honeycomb transitions from being a two-dimensional quantum spin Hall (QSH) insulator to a quantum anomalous Hall (QAH) insulator when it is doped with one Fe atom in a 4 x 4 GaBi honeycomb. The QAH phase in Fe-doped GaBi is found to be robust in that it maintains its Chern number (C = 1) under fairly large strains ( similar to 4%) and supports a gap as large as 112 meV at 2.21% strain. The QAH phase is also retained when the Fe-doped GaBi is placed on a CdTe substrate, suggesting that Fe-doped GaBi films could be useful for spintronics applications.
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