Quantum anomalous Hall insulator phases in Fe-doped GaBi honeycomb

Huang, Zhi-Quan; Hsu, Chia-Hsiu; Crisostomo, Christian P.; Macam, Gennevieve; Su, Jing-Rong; Lin, Hsin; Bansil, Arun; Chuang, Feng-Chuan

doi:10.1016/j.cjph.2020.07.007

Title: Quantum anomalous Hall insulator phases in Fe-doped GaBi honeycomb

Journal Article · Sun Jul 26 00:00:00 EDT 2020 · Chinese Journal of Physics

DOI:https://doi.org/10.1016/j.cjph.2020.07.007· OSTI ID:1849738

Huang, Zhi-Quan ^[1]; Hsu, Chia-Hsiu ^[1]; Crisostomo, Christian P. ^[2]; Macam, Gennevieve ^[1]; Su, Jing-Rong ^[1]; Lin, Hsin ^[3]; Bansil, Arun ^[4]; Chuang, Feng-Chuan ^[5]

National Sun Yat-Sen Univ., Kaohsiung (Taiwan). Dept. of Physics
Univ. of the Philippines Baguio, Baguio City (Philippines). Dept. of Physical Sciences
Academia Sinica, Taipei (Taiwan). Inst. of Physics
Northeastern Univ., Boston, MA (United States). Dept. of Physics
National Sun Yat-Sen Univ., Kaohsiung (Taiwan). Dept. of Physics; National Tsing Hua Univ., Hsinchu (Taiwan). Dept. of Physics; National Center for Theoretical Sciences, Hsinchu (Taiwan). Physics Division

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 × 4 GaBi honeycomb. Additionally, 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 (~ 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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Research Organization:: Northeastern Univ., Boston, MA (United States); Univ. of California, Oakland, CA (United States)

Sponsoring Organization:: Ministry of Science and Technology of Taiwan (MOST); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-07ER46352; AC02-05CH11231; MOST-107- 2628-M-110-001-MY3; MOST 109-2112-M-001-014-MY

OSTI ID:: 1849738

Alternate ID(s):: OSTI ID: 2325069

Journal Information:: Chinese Journal of Physics, Vol. 67, Issue C; ISSN 0577-9073

Publisher:: Physical Society of Republic of China in TaiwanCopyright Statement

Country of Publication:: United States

Language:: English

References (54)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Growth of a predicted two-dimensional topological insulator based on InBi-Si(111)- $\sqrt{7} \times \sqrt{7}$ Hsu, Chia-Hsiu; Huang, Zhi-Quan; Lin, Cho-Ying Physical Review B, Vol. 98, Issue 12 https://doi.org/10.1103/PhysRevB.98.121404	journal	September 2018
Topological insulators and superconductors Qi, Xiao-Liang; Zhang, Shou-Cheng Reviews of Modern Physics, Vol. 83, Issue 4 https://doi.org/10.1103/RevModPhys.83.1057	journal	October 2011
Magnetism and electronic structure of hcp Gd and the Gd(0001) surface Kurz, Ph; Bihlmayer, G.; Blügel, S. Journal of Physics: Condensed Matter, Vol. 14, Issue 25 https://doi.org/10.1088/0953-8984/14/25/305	journal	June 2002
Magnetic interactions in a proposed diluted magnetic semiconductor (Ba _{1− x} K _x )(Zn _{1− y} Mn _y ) ₂ P ₂ Yang, Huan-Cheng; Liu, Kai; Lu, Zhong-Yi Chinese Physics B, Vol. 27, Issue 6 https://doi.org/10.1088/1674-1056/27/6/067103	journal	June 2018
Structural and magnetic properties of (Ga,Mn)N from first principles Hynninen, Teemu; Raebiger, Hannes; von Boehm, Juhani Physical Review B, Vol. 75, Issue 12 https://doi.org/10.1103/PhysRevB.75.125208	journal	March 2007
The nontrivial electronic structure of Bi/Sb honeycombs on SiC(0001) Hsu, Chia-Hsiu; Huang, Zhi-Quan; Chuang, Feng-Chuan New Journal of Physics, Vol. 17, Issue 2 https://doi.org/10.1088/1367-2630/17/2/025005	journal	February 2015
Quantum anomalous Hall insulator phase in asymmetrically functionalized germanene Hsu, Chia-Hsiu; Fang, Yimei; Wu, Shunqing Physical Review B, Vol. 96, Issue 16 https://doi.org/10.1103/PhysRevB.96.165426	journal	October 2017
wannier90: A tool for obtaining maximally-localised Wannier functions Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su Computer Physics Communications, Vol. 178, Issue 9 https://doi.org/10.1016/j.cpc.2007.11.016	journal	May 2008
Predicting two-dimensional topological phases in Janus materials by substitutional doping in transition metal dichalcogenide monolayers Maghirang, Aniceto B.; Huang, Zhi-Quan; Villaos, Rovi Angelo B. npj 2D Materials and Applications, Vol. 3, Issue 1 https://doi.org/10.1038/s41699-019-0118-2	journal	September 2019
Colloquium : Topological band theory Bansil, A.; Lin, Hsin; Das, Tanmoy Reviews of Modern Physics, Vol. 88, Issue 2 https://doi.org/10.1103/RevModPhys.88.021004	journal	June 2016
Quantum anomalous Hall and quantum spin-Hall phases in flattened Bi and Sb bilayers Jin, Kyung-Hwan; Jhi, Seung-Hoon Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep08426	journal	February 2015
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Prediction of Quantum Anomalous Hall Insulator in half-fluorinated GaBi Honeycomb Chen, Sung-Ping; Huang, Zhi-Quan; Crisostomo, Christian P. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep31317	journal	August 2016
Thin Films of Magnetically Doped Topological Insulator with Carrier-Independent Long-Range Ferromagnetic Order Chang, Cui-Zu; Zhang, Jinsong; Liu, Minhao Advanced Materials, Vol. 25, Issue 7 https://doi.org/10.1002/adma.201203493	journal	January 2013
Electronic structure of substitutionally Mn-doped graphene Wu, M.; Cao, C.; Jiang, J. Z. New Journal of Physics, Vol. 12, Issue 6 https://doi.org/10.1088/1367-2630/12/6/063020	journal	June 2010
Prediction of Quantum Anomalous Hall Effect in MBi and MSb (M:Ti, Zr, and Hf) Honeycombs Huang, Zhi-Quan; Chen, Wei-Chih; Macam, Gennevieve M. Nanoscale Research Letters, Vol. 13, Issue 1 https://doi.org/10.1186/s11671-017-2424-y	journal	February 2018
Quantum anomalous Hall effect and related topological electronic states Weng, Hongming; Yu, Rui; Hu, Xiao Advances in Physics, Vol. 64, Issue 3 https://doi.org/10.1080/00018732.2015.1068524	journal	May 2015
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Giant Topological Nontrivial Band Gaps in Chloridized Gallium Bismuthide Li, Linyang; Zhang, Xiaoming; Chen, Xin Nano Letters, Vol. 15, Issue 2 https://doi.org/10.1021/nl504493d	journal	January 2015
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 Song, Zhigang; Liu, Cheng-Cheng; Yang, Jinbo NPG Asia Materials, Vol. 6, Issue 12 https://doi.org/10.1038/am.2014.113	journal	December 2014
Magnetic interactions of $Cr − Cr$ and $Co − Co$ impurity pairs in $ZnO$ within a band-gap corrected density functional approach Lany, Stephan; Raebiger, Hannes; Zunger, Alex Physical Review B, Vol. 77, Issue 24 https://doi.org/10.1103/PhysRevB.77.241201	journal	June 2008
Anomalous Hall effect Nagaosa, Naoto; Sinova, Jairo; Onoda, Shigeki Reviews of Modern Physics, Vol. 82, Issue 2 https://doi.org/10.1103/RevModPhys.82.1539	journal	May 2010
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
High-precision realization of robust quantum anomalous Hall state in a hard ferromagnetic topological insulator Chang, Cui-Zu; Zhao, Weiwei; Kim, Duk Y. Nature Materials, Vol. 14, Issue 5 https://doi.org/10.1038/nmat4204	journal	March 2015
Prediction of a quantum anomalous Hall state in Co-decorated silicene Kaloni, T. P.; Singh, N.; Schwingenschlögl, U. Physical Review B, Vol. 89, Issue 3 https://doi.org/10.1103/PhysRevB.89.035409	journal	January 2014
Prediction of two-dimensional organic topological insulator in metal-DCB lattices Hsu, Chia-Hsiu; Huang, Zhi-Quan; Macam, Gennevieve M. Applied Physics Letters, Vol. 113, Issue 23 https://doi.org/10.1063/1.5064610	journal	December 2018
Quantum anomalous Hall effect in graphene from Rashba and exchange effects Qiao, Zhenhua; Yang, Shengyuan A.; Feng, Wanxiang Physical Review B, Vol. 82, Issue 16 https://doi.org/10.1103/PhysRevB.82.161414	journal	October 2010
Experimental Observation of the Quantum Anomalous Hall Effect in a Magnetic Topological Insulator Chang, C. -Z.; Zhang, J.; Feng, X. Science, Vol. 340, Issue 6129 https://doi.org/10.1126/science.1234414	journal	March 2013
Tuning the Structural, Electronic, and Magnetic Properties of Germanene by the Adsorption of 3d Transition Metal Atoms Kaloni, Thaneshwor P. The Journal of Physical Chemistry C, Vol. 118, Issue 43 https://doi.org/10.1021/jp5058644	journal	October 2014
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Prediction of Large-Gap Two-Dimensional Topological Insulators Consisting of Bilayers of Group III Elements with Bi Chuang, Feng-Chuan; Yao, Liang-Zi; Huang, Zhi-Quan Nano Letters, Vol. 14, Issue 5 https://doi.org/10.1021/nl500206u	journal	April 2014
Colloquium: Topological insulators Hasan, M. Z.; Kane, C. L. Reviews of Modern Physics, Vol. 82, Issue 4, p. 3045-3067 https://doi.org/10.1103/RevModPhys.82.3045	journal	November 2010
Valley-polarized quantum anomalous Hall phases and tunable topological phase transitions in half-hydrogenated Bi honeycomb monolayers Liu, Cheng-Cheng; Zhou, Jin-Jian; Yao, Yugui Physical Review B, Vol. 91, Issue 16 https://doi.org/10.1103/PhysRevB.91.165430	journal	April 2015
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Computing topological invariants without inversion symmetry Soluyanov, Alexey A.; Vanderbilt, David Physical Review B, Vol. 83, Issue 23 https://doi.org/10.1103/PhysRevB.83.235401	journal	June 2011
Quantum anomalous Hall effect He, Ke; Wang, Yayu; Xue, Qi-Kun National Science Review, Vol. 1, Issue 1 https://doi.org/10.1093/nsr/nwt029	journal	December 2013
Magnetic and topological properties in hydrogenated transition metal dichalcogenide monolayers Feng, Liang-Ying; Villaos, Rovi Angelo B.; Cruzado, Harvey N. Chinese Journal of Physics, Vol. 66 https://doi.org/10.1016/j.cjph.2020.03.018	journal	August 2020
Large-Gap Quantum Spin Hall Insulators in Tin Films Xu, Yong; Yan, Binghai; Zhang, Hai-Jun Physical Review Letters, Vol. 111, Issue 13 https://doi.org/10.1103/PhysRevLett.111.136804	journal	September 2013
Model for a Quantum Hall Effect without Landau Levels: Condensed-Matter Realization of the "Parity Anomaly" Haldane, F. D. M. Physical Review Letters, Vol. 61, Issue 18 https://doi.org/10.1103/PhysRevLett.61.2015	journal	October 1988
2D Tl–Pb compounds on Ge(1 1 1) surface: atomic arrangement and electronic band structure Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y. Journal of Physics: Condensed Matter, Vol. 29, Issue 3 https://doi.org/10.1088/0953-8984/29/3/035001	journal	November 2016
Ground State of the Electron Gas by a Stochastic Method Ceperley, D. M.; Alder, B. J. Physical Review Letters, Vol. 45, Issue 7, p. 566-569 https://doi.org/10.1103/PhysRevLett.45.566	journal	August 1980
Magnetism of substitutional Co impurities in graphene: Realization of single $π$ vacancies Santos, E. J. G.; Sánchez-Portal, D.; Ayuela, A. Physical Review B, Vol. 81, Issue 12 https://doi.org/10.1103/PhysRevB.81.125433	journal	March 2010
WannierTools: An open-source software package for novel topological materials Wu, QuanSheng; Zhang, ShengNan; Song, Hai-Feng Computer Physics Communications, Vol. 224 https://doi.org/10.1016/j.cpc.2017.09.033	journal	March 2018
Magnetism of Phthalocyanine-Based Organometallic Single Porous Sheet Zhou, Jian; Sun, Qiang Journal of the American Chemical Society, Vol. 133, Issue 38 https://doi.org/10.1021/ja204990j	journal	September 2011
Low-energy effective Hamiltonian for giant-gap quantum spin Hall insulators in honeycomb $X$ -hydride/halide $(X = N - Bi)$ monolayers Liu, Cheng-Cheng; Guan, Shan; Song, Zhigang Physical Review B, Vol. 90, Issue 8 https://doi.org/10.1103/PhysRevB.90.085431	journal	August 2014
Robust Large Gap Two-Dimensional Topological Insulators in Hydrogenated III–V Buckled Honeycombs Crisostomo, Christian P.; Yao, Liang-Zi; Huang, Zhi-Quan Nano Letters, Vol. 15, Issue 10 https://doi.org/10.1021/acs.nanolett.5b02293	journal	September 2015
Predicted Growth of Two-Dimensional Topological Insulator Thin Films of III-V Compounds on Si(111) Substrate Yao, Liang-Zi; Crisostomo, Christian P.; Yeh, Chun-Chen Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep15463	journal	November 2015
Hydrogenated ultra-thin tin films predicted as two-dimensional topological insulators Chou, Bo-Hung; Huang, Zhi-Quan; Hsu, Chia-Hsiu New Journal of Physics, Vol. 16, Issue 11 https://doi.org/10.1088/1367-2630/16/11/115008	journal	November 2014
Chemically induced large-gap quantum anomalous Hall insulator states in III-Bi honeycombs Crisostomo, Christian P.; Huang, Zhi-Quan; Hsu, Chia-Hsiu npj Computational Materials, Vol. 3, Issue 1 https://doi.org/10.1038/s41524-017-0044-9	journal	September 2017
Bismuth–indium two-dimensional compounds on Si(111) surface Denisov, N. V.; Alekseev, A. A.; Utas, O. A. Surface Science, Vol. 651 https://doi.org/10.1016/j.susc.2016.03.031	journal	September 2016
Highly convergent schemes for the calculation of bulk and surface Green functions Sancho, M. P. Lopez; Sancho, J. M. Lopez; Sancho, J. M. L. Journal of Physics F: Metal Physics, Vol. 15, Issue 4 https://doi.org/10.1088/0305-4608/15/4/009	journal	April 1985
Prediction of Near-Room-Temperature Quantum Anomalous Hall Effect on Honeycomb Materials Wu, Shu-Chun; Shan, Guangcun; Yan, Binghai Physical Review Letters, Vol. 113, Issue 25 https://doi.org/10.1103/PhysRevLett.113.256401	journal	December 2014

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