Axion insulator state in ferromagnetically ordered CrI3/Bi2Se3/MnBi2Se4 heterostructures

Hou, Y. S.; Kim, J. W.; Wu, R. Q.

doi:10.1103/physrevb.101.121401

Axion insulator state in ferromagnetically ordered CrI₃/Bi₂Se₃/MnBi₂Se₄ heterostructures

Journal Article · Mon Mar 02 00:00:00 EST 2020 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.101.121401· OSTI ID:1800331

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Univ. of California, Irvine, CA (United States); OSTI
Incheon National University (Korea)
Univ. of California, Irvine, CA (United States)

Ferromagnetic (FM) axion insulators may greatly simplify experimental explorations of the topological magnetoelectric effect, as the FM ordering can be stable in a broad range of magnetic field. Through density functional theory calculations and four-band model studies, we find that two-dimensional van der Waals FM CrI₃ and MnBi₂Se₄ overlayers induce opposite-sign exchange fields in the topological surface states of Bi₂Se₃ film when they are ferromagnetically ordered. As a consequence, the CrI₃/Bi₂Se₃/MnBi₂Se₄ heterostructure is a robust FM axion insulator, according to surface-resolved Berry curvature calculations. Our work opens up opportunities for the design of materials with the topological magnetoelectric effect.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of California, Irvine, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-05ER46237

OSTI ID:: 1800331

Alternate ID(s):: OSTI ID: 1602375

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 12 Vol. 101; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (50)

Thickness Dependence of the Quantum Anomalous Hall Effect in Magnetic Topological Insulator Films Feng, Xiao; Feng, Yang; Wang, Jing Advanced Materials, Vol. 28, Issue 30 https://doi.org/10.1002/adma.201600919	journal	May 2016
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
Large-Gap Magnetic Topological Heterostructure Formed by Subsurface Incorporation of a Ferromagnetic Layer Hirahara, Toru; Eremeev, Sergey V.; Shirasawa, Tetsuroh Nano Letters, Vol. 17, Issue 6 https://doi.org/10.1021/acs.nanolett.7b00560	journal	May 2017
Axion Insulator State in a Ferromagnet/Topological Insulator/Antiferromagnet Heterostructure Hou, Yusheng; Wu, Ruqian Nano Letters, Vol. 19, Issue 4 https://doi.org/10.1021/acs.nanolett.9b00047	journal	March 2019
Coupling of Crystal Structure and Magnetism in the Layered, Ferromagnetic Insulator CrI ₃ McGuire, Michael A.; Dixit, Hemant; Cooper, Valentino R. Chemistry of Materials, Vol. 27, Issue 2 https://doi.org/10.1021/cm504242t	journal	January 2015
Multiferroic and magnetoelectric materials Eerenstein, W.; Mathur, N. D.; Scott, J. F. Nature, Vol. 442, Issue 7104 https://doi.org/10.1038/nature05023	journal	August 2006
Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals Gong, Cheng; Li, Lin; Li, Zhenglu Nature, Vol. 546, Issue 7657 https://doi.org/10.1038/nature22060	journal	April 2017
Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit Huang, Bevin; Clark, Genevieve; Navarro-Moratalla, Efrén Nature, Vol. 546, Issue 7657 https://doi.org/10.1038/nature22391	journal	June 2017
A magnetic heterostructure of topological insulators as a candidate for an axion insulator Mogi, M.; Kawamura, M.; Yoshimi, R. Nature Materials, Vol. 16, Issue 5 https://doi.org/10.1038/nmat4855	journal	February 2017
Dynamical axion field in topological magnetic insulators Li, Rundong; Wang, Jing; Qi, Xiao-Liang Nature Physics, Vol. 6, Issue 4 https://doi.org/10.1038/nphys1534	journal	March 2010
Crossover of the three-dimensional topological insulator Bi2Se3 to the two-dimensional limit Zhang, Yi; He, Ke; Chang, Cui-Zu Nature Physics, Vol. 6, Issue 8 https://doi.org/10.1038/nphys1689	journal	June 2010
Intrinsic magnetic topological insulator phases in the Sb doped MnBi2Te4 bulks and thin flakes Chen, Bo; Fei, Fucong; Zhang, Dongqin Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-12485-y	journal	October 2019
Prediction of Weyl semimetal and antiferromagnetic topological insulator phases in Bi2MnSe4 Chowdhury, Sugata; Garrity, Kevin F.; Tavazza, Francesca npj Computational Materials, Vol. 5, Issue 1 https://doi.org/10.1038/s41524-019-0168-1	journal	March 2019
Robust axion insulator and Chern insulator phases in a two-dimensional antiferromagnetic topological insulator Liu, Chang; Wang, Yongchao; Li, Hao Nature Materials https://doi.org/10.1038/s41563-019-0573-3	journal	January 2020
Symmetry-enforced chiral hinge states and surface quantum anomalous Hall effect in the magnetic axion insulator Bi2–xSmxSe3 Yue, Changming; Xu, Yuanfeng; Song, Zhida Nature Physics, Vol. 15, Issue 6 https://doi.org/10.1038/s41567-019-0457-0	journal	March 2019
Edge states and integer quantum Hall effect in topological insulator thin films Zhang, Song-Bo; Lu, Hai-Zhou; Shen, Shun-Qing Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep13277	journal	August 2015
Role of hybridization and magnetic effects in massive Dirac cones: Magnetic topological heterostructures with controlled film thickness Okuyama, Yuma; Ishikawa, Ryo; Kuroda, Shinji Applied Physics Letters, Vol. 114, Issue 5 https://doi.org/10.1063/1.5083059	journal	February 2019
Visualization of an axion insulating state at the transition between 2 chiral quantum anomalous Hall states Allen, Monica; Cui, Yongtao; Yue Ma, Eric Proceedings of the National Academy of Sciences, Vol. 116, Issue 29 https://doi.org/10.1073/pnas.1818255116	journal	July 2019
Revival of the magnetoelectric effect Fiebig, Manfred Journal of Physics D: Applied Physics, Vol. 38, Issue 8 https://doi.org/10.1088/0022-3727/38/8/R01	journal	April 2005
Quantum anomalous Hall effect in magnetic topological insulators Wang, Jing; Lian, Biao; Zhang, Shou-Cheng Physica Scripta, Vol. T164 https://doi.org/10.1088/0031-8949/2015/T164/014003	journal	August 2015
Chemical accuracy for the van der Waals density functional Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos Journal of Physics: Condensed Matter, Vol. 22, Issue 2 https://doi.org/10.1088/0953-8984/22/2/022201	journal	December 2009
Effective continuous model for surface states and thin films of three-dimensional topological insulators Shan, Wen-Yu; Lu, Hai-Zhou; Shen, Shun-Qing New Journal of Physics, Vol. 12, Issue 4 https://doi.org/10.1088/1367-2630/12/4/043048	journal	April 2010
Highly-ordered wide bandgap materials for quantized anomalous Hall and magnetoelectric effects Otrokov, M. M.; Menshchikova, T. V.; Vergniory, M. G. 2D Materials, Vol. 4, Issue 2 https://doi.org/10.1088/2053-1583/aa6bec	journal	April 2017
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
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
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
Topological field theory of time-reversal invariant insulators Qi, Xiao-Liang; Hughes, Taylor L.; Zhang, Shou-Cheng Physical Review B, Vol. 78, Issue 19, Article No. 195424 https://doi.org/10.1103/PhysRevB.78.195424	journal	November 2008
Van der Waals density functionals applied to solids Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos Physical Review B, Vol. 83, Issue 19 https://doi.org/10.1103/PhysRevB.83.195131	journal	May 2011
Magnetic proximity effect at the three-dimensional topological insulator/magnetic insulator interface Eremeev, S. V.; Men'shov, V. N.; Tugushev, V. V. Physical Review B, Vol. 88, Issue 14 https://doi.org/10.1103/PhysRevB.88.144430	journal	October 2013
Quantized topological magnetoelectric effect of the zero-plateau quantum anomalous Hall state Wang, Jing; Lian, Biao; Qi, Xiao-Liang Physical Review B, Vol. 92, Issue 8 https://doi.org/10.1103/PhysRevB.92.081107	journal	August 2015
Zero Hall conductivity and its electronic origin in a Cr-doped topological insulator Kim, Jeongwoo; Hou, Yusheng; Park, Noejung Physical Review B, Vol. 98, Issue 8 https://doi.org/10.1103/PhysRevB.98.081117	journal	August 2018
Geometric and nongeometric contributions to the surface anomalous Hall conductivity Rauch, Tomáš; Olsen, Thomas; Vanderbilt, David Physical Review B, Vol. 98, Issue 11 https://doi.org/10.1103/PhysRevB.98.115108	journal	September 2018
Surfaces of axion insulators Varnava, Nicodemos; Vanderbilt, David Physical Review B, Vol. 98, Issue 24 https://doi.org/10.1103/PhysRevB.98.245117	journal	December 2018
Magnetoelectric Polarizability and Axion Electrodynamics in Crystalline Insulators Essin, Andrew M.; Moore, Joel E.; Vanderbilt, David Physical Review Letters, Vol. 102, Issue 14 https://doi.org/10.1103/PhysRevLett.102.146805	journal	April 2009
Computational Design of Axion Insulators Based on 5 d Spinel Compounds Wan, Xiangang; Vishwanath, Ashvin; Savrasov, Sergey Y. Physical Review Letters, Vol. 108, Issue 14 https://doi.org/10.1103/PhysRevLett.108.146601	journal	April 2012
Quantum Anomalous Hall Effect with Higher Plateaus Wang, Jing; Lian, Biao; Zhang, Haijun Physical Review Letters, Vol. 111, Issue 13 https://doi.org/10.1103/PhysRevLett.111.136801	journal	September 2013
Realization of the Axion Insulator State in Quantum Anomalous Hall Sandwich Heterostructures Xiao, Di; Jiang, Jue; Shin, Jae-Ho Physical Review Letters, Vol. 120, Issue 5 https://doi.org/10.1103/PhysRevLett.120.056801	journal	January 2018
Unique Thickness-Dependent Properties of the van der Waals Interlayer Antiferromagnet MnBi 2 Te 4 Films Otrokov, M. M.; Rusinov, I. P.; Blanco-Rey, M. Physical Review Letters, Vol. 122, Issue 10 https://doi.org/10.1103/PhysRevLett.122.107202	journal	March 2019
Quantized Hall Conductance in a Two-Dimensional Periodic Potential Thouless, D. J.; Kohmoto, M.; Nightingale, M. P. Physical Review Letters, Vol. 49, Issue 6 https://doi.org/10.1103/PhysRevLett.49.405	journal	August 1982
Two applications of axion electrodynamics Wilczek, Frank Physical Review Letters, Vol. 58, Issue 18 https://doi.org/10.1103/PhysRevLett.58.1799	journal	May 1987
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
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
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
Tailoring tricolor structure of magnetic topological insulator for robust axion insulator Mogi, Masataka; Kawamura, Minoru; Tsukazaki, Atsushi Science Advances, Vol. 3, Issue 10 https://doi.org/10.1126/sciadv.aao1669	journal	October 2017
Magnetizing topological surface states of Bi ₂ Se ₃ with a CrI ₃ monolayer Hou, Yusheng; Kim, Jeongwoo; Wu, Ruqian Science Advances, Vol. 5, Issue 5 https://doi.org/10.1126/sciadv.aaw1874	journal	May 2019
Intrinsic magnetic topological insulators in van der Waals layered MnBi ₂ Te ₄ -family materials Li, Jiaheng; Li, Yang; Du, Shiqiao Science Advances, Vol. 5, Issue 6 https://doi.org/10.1126/sciadv.aaw5685	journal	June 2019
Quantized Anomalous Hall Effect in Magnetic Topological Insulators Yu, R.; Zhang, W.; Zhang, H. -J. Science, Vol. 329, Issue 5987 https://doi.org/10.1126/science.1187485	journal	June 2010
2D materials and van der Waals heterostructures Novoselov, K. S.; Mishchenko, A.; Carvalho, A. Science, Vol. 353, Issue 6298 https://doi.org/10.1126/science.aac9439	journal	July 2016
Two-dimensional magnetic crystals and emergent heterostructure devices Gong, Cheng; Zhang, Xiang Science, Vol. 363, Issue 6428 https://doi.org/10.1126/science.aav4450	journal	February 2019
The Quantum Anomalous Hall Effect: Theory and Experiment Liu, Chao-Xing; Zhang, Shou-Cheng; Qi, Xiao-Liang Annual Review of Condensed Matter Physics, Vol. 7, Issue 1 https://doi.org/10.1146/annurev-conmatphys-031115-011417	journal	March 2016

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