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Title: Prediction of Quantum Anomalous Hall Insulator in half-fluorinated GaBi Honeycomb

Journal Article · · Scientific Reports
DOI:https://doi.org/10.1038/srep31317· OSTI ID:1326664
 [1];  [1];  [1];  [1];  [1];  [2];  [3]
  1. National Sun Yat-Sen University, Kaohsiuing (Taiwan). Dept. of Physics
  2. National Univ. of Singapore (Singapore). Centre for Advanced 2D Materials and Graphene Research Centre; National Univ. of Singapore (Singapore). Dept. of Physics
  3. Northeastern Univ., Boston, MA (United States). Dept. of Physics

Using first-principles electronic structure calculations, we predict half-fluorinated GaBi honeycomb under tensile strain to harbor a quantum anomalous Hall (QAH) insulator phase. We show that this QAH phase is driven by a single inversion in the band structure at the Γ point. Moreover, we have computed the electronic spectrum of a half-fluorinated GaBi nanoribbon with zigzag edges, which shows that only one edge band crosses the Fermi level within the band gap. In conclusion, our results suggest that half-fluorination of the GaBi honeycomb under tensile strain could provide a new platform for developing novel spintronics devices based on the QAH effect.

Research Organization:
Temple Univ., Philadelphia, PA (United States); Northeastern Univ., Boston, MA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Center for Theoretical Sciences and the Ministry of Science and Technology of Taiwan
Grant/Contract Number:
SC0012575; FG02-07ER46352; AC02-05CH11231; NRF-NRFF2013-03; MOST-104-2112-M-110-002-MY3; MOST-103-2112-M- 110-008-MY3
OSTI ID:
1326664
Journal Information:
Scientific Reports, Vol. 6; ISSN 2045-2322
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 12 works
Citation information provided by
Web of Science

References (62)

Generalized Gradient Approximation Made Simple journal October 1996
Topological insulators and superconductors journal October 2011
New Method for High-Accuracy Determination of the Fine-Structure Constant Based on Quantized Hall Resistance journal August 1980
Atomic-Scale Mapping of Layer-by-Layer Hydrogen Etching and Passivation of SiC(0001) Substrates journal May 2016
Precise quantization of anomalous Hall effect near zero magnetic field text January 2014
Magnetic topological insulators and quantum anomalous hall effect journal July 2015
Quantized Anomalous Hall Effect in Magnetic Topological Insulators journal June 2010
wannier90: A tool for obtaining maximally-localised Wannier functions journal May 2008
Giant Topological Nontrivial Band Gaps in Chloridized Gallium Bismuthide journal January 2015
Colloquium : Topological band theory journal June 2016
Quantum anomalous Hall and quantum spin-Hall phases in flattened Bi and Sb bilayers journal February 2015
Quantum Spin-Quantum Anomalous Hall Insulators and Topological Transitions in Functionalized Sb(111) Monolayers journal July 2015
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Robust Large Gap Two-Dimensional Topological Insulators in Hydrogenated III–V Buckled Honeycombs journal September 2015
Topological Crystalline Insulators journal March 2011
Edge state modulation of bilayer Bi nanoribbons by atom adsorption journal January 2014
Quantum anomalous Hall effect in graphene coupled to skyrmions journal September 2015
Metal-to-Insulator Switching in Quantum Anomalous Hall States text January 2015
Metal-to-insulator switching in quantum anomalous Hall states journal October 2015
High-precision realization of robust quantum anomalous Hall state in a hard ferromagnetic topological insulator text January 2014
Two-dimensional Topological Crystalline Insulator Phase in Sb/Bi Planar Honeycomb with Tunable Dirac Gap journal January 2016
Synthesis of two-dimensional TlxBi1−x compounds and Archimedean encoding of their atomic structure journal January 2016
Predicted Growth of Two-Dimensional Topological Insulator Thin Films of III-V Compounds on Si(111) Substrate journal November 2015
Quantum anomalous Hall effect and related topological electronic states journal May 2015
Ab initiomolecular dynamics for liquid metals journal January 1993
Topological quantization of the spin Hall effect in two-dimensional paramagnetic semiconductors journal August 2006
Topological field theory of time-reversal invariant insulators journal November 2008
Molecular beam epitaxy of GaBiAs on (311)B GaAs substrates journal December 2007
Quantum spin Hall insulators and quantum valley Hall insulators of BiX/SbX (X=H, F, Cl and Br) monolayers with a record bulk band gap journal December 2014
Anomalous Hall effect journal May 2010
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
High-precision realization of robust quantum anomalous Hall state in a hard ferromagnetic topological insulator journal March 2015
Quantized Hall Conductance in a Two-Dimensional Periodic Potential journal August 1982
The Complete Quantum Hall Trio journal April 2013
Influence of the exchange screening parameter on the performance of screened hybrid functionals journal December 2006
Experimental Observation of the Quantum Anomalous Hall Effect in a Magnetic Topological Insulator journal March 2013
Z2 Topological Order and the Quantum Spin Hall Effect journal September 2005
Special points for Brillouin-zone integrations journal June 1976
Quantum Anomalous Hall Effect in Hg 1 y Mn y Te Quantum Wells journal October 2008
Prediction of Large-Gap Two-Dimensional Topological Insulators Consisting of Bilayers of Group III Elements with Bi journal April 2014
Colloquium: Topological insulators journal November 2010
Valley-polarized quantum anomalous Hall phases and tunable topological phase transitions in half-hydrogenated Bi honeycomb monolayers journal April 2015
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Berry phase, hyperorbits, and the Hofstadter spectrum: Semiclassical dynamics in magnetic Bloch bands journal March 1996
Driving a GaAs film to a large-gap topological insulator by tensile strain journal February 2015
First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe journal January 2004
First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe text January 2003
Inhomogeneous Electron Gas journal November 1964
Prediction of Near-Room-Temperature Quantum Anomalous Hall Effect on Honeycomb Materials journal December 2014
Quantum anomalous Hall effect journal December 2013
Quantum Anomalous Hall Effect in Magnetically Doped InAs/GaSb Quantum Wells journal September 2014
Large-Gap Quantum Spin Hall Insulators in Tin Films journal September 2013
Model for a Quantum Hall Effect without Landau Levels: Condensed-Matter Realization of the "Parity Anomaly" journal October 1988
Ground State of the Electron Gas by a Stochastic Method journal August 1980
Low-energy effective Hamiltonian for giant-gap quantum spin Hall insulators in honeycomb X -hydride/halide ( X = N Bi ) monolayers journal August 2014
Topological invariant and the quantization of the Hall conductance journal April 1985
Self-interaction correction to density-functional approximations for many-electron systems journal May 1981
Quantum Anomalous Hall Effect in Magnetically Doped InAs/GaSb Quantum Wells text January 2013
Precise Quantization of the Anomalous Hall Effect near Zero Magnetic Field journal May 2015
Hydrogenated ultra-thin tin films predicted as two-dimensional topological insulators journal November 2014
Bismuth–indium two-dimensional compounds on Si(111) surface journal September 2016
Thin Films of Magnetically Doped Topological Insulator with Carrier-Independent Long-Range Ferromagnetic Order journal January 2013

Cited By (3)

Structural and electronic properties of hydrogenated GaBi and InBi honeycomb monolayers with point defects journal January 2018
Highly-ordered wide bandgap materials for quantized anomalous Hall and magnetoelectric effects journal April 2017
Prediction of Quantum Anomalous Hall Effect in MBi and MSb (M:Ti, Zr, and Hf) Honeycombs journal February 2018

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