Prediction of quantum anomalous Hall effect in CrI3/ScCl2 bilayer heterostructure
Yuan Gao(高源)1, Huiping Li(李慧平)2, and Wenguang Zhu(朱文光)1,2,†
1. International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China; 2. Department of Physics, University of Science and Technology of China, Hefei 230026, China
Abstract Based on first-principles calculations, a two-dimensional (2D) van der Waals (vdW) bilayer heterostructure consisting of two topologically trivial ferromagnetic (FM) monolayers CrI3 and ScCl2 is proposed to realize the quantum anomalous Hall effect (QAHE) with a sizable topologically nontrivial band gap of 4.5 meV. Its topological nature is attributed to an interlayer band inversion between the monolayers and critically depends on the symmetry of the stacking configuration. We further demonstrate that the topologically nontrivial band gap can be increased nearly linearly by the application of a perpendicular external pressure and reaches 8.1 meV at 2.7 GPa, and the application of an external out-of-plane electric field can also modulate the band gap and convert the system back to topologically trivial via eliminating the band inversion. An effective model is developed to describe the topological phase evolution in this bilayer heterostructure. This work provides a new candidate system based on 2D vdW materials for realization of potential high-temperature QAHE with considerable controllability.
Fund: Project supported by the National Key Research and Development Program of China (Grant Nos. 2017YFA0204904 and 2019YFA0210004), the National Natural Science Foundation of China (Grant No. 11634011), the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB30000000), and the Fundamental Research Funds for the Central Universities (Grant No. WK2340000082).
Yuan Gao(高源), Huiping Li(李慧平), and Wenguang Zhu(朱文光) Prediction of quantum anomalous Hall effect in CrI3/ScCl2 bilayer heterostructure 2022 Chin. Phys. B 31 107304
[1] Haldane F 1988 Phys. Rev. Lett.61 2015 [2] Yu R, Zhang W, Zhang H J, Zhang S C, Dai X and Fang Z 2010 Science329 61 [3] Chang C, Zhang J, Feng X, Shen J, Zhang Z, Guo M, Li K, Ou Y, Wei P, Wang P, Ji P, Feng Y, Ji S, Chen X, Jia J, Dai X, Fang Z, Zhang S, He K, Wang Y, Lu L, Ma X and Xue Q 2013 Science340 167 [4] Checkelsky J G, Yoshimi R, Tsukazaki A, Takahashi K S, Kozuka Y, Falson J, Kawasaki M and Tokura Y 2014 Nat. Phys.10 731 [5] Kou X, Guo S T, Fan Y, Pan L, Lang M, Jiang Y, Shao Q, Nie T, Murata K, Tang J, Wang Y, He L, Lee T K, Lee W L and Wang K L 2014 Phys. Rev. Lett.113 137201 [6] Bestwick A J, Fox E J, Kou X, Pan L, Wang K L and Goldhaber-Gordon D 2015 Phys. Rev. Lett.114 187201 [7] Chang C Z, Zhao W, Kim D Y, Zhang H, Assaf B A, Heiman D, Zhang S C, Liu C, Chan M H W and Moodera J S 2015 Nat. Mater.14 473 [8] Mogi M, Yoshimi R, Tsukazaki A, Yasuda K, Takahashi K, Kawasaki M and Tokura Y 2015 Appl. Phys. Lett.107 182401 [9] Deng Y, Yu Y, Shi M, Guo Z, Xu Z, Wang J, Chen X and Zhang Y 2020 Science367 895 [10] Liu C, Wang Y, Li H, Wu Y, Li Y, Li J, He K, Xu Y, Zhang J and Wang Y 2020 Nat. Mater.19 522 [11] Ge J, Liu Y, Li J, Li H, Luo T, Wu Y, Xu Y and Wang J 2010 Natl. Sci. Rev.7 1280 [12] Serlin M, Tschirhart C, Polshyn H, Zhang Y, Zhu J, Watanabe K, Taniguchi T, Balents L and Young A 2020 Science367 900 [13] Qiao Z, Ren W, Chen H, Bellaiche L, Zhang Z, MacDonald A and Niu Q 2014 Phys. Rev. Lett.112 116404 [14] Zhang J, Zhao B, Yao Y and Yang Z 2015 Sci. Rep.5 10629 [15] Zhang J, Zhao B, Yao Y and Yang Z 2015 Phys. Rev. B92 165418 [16] Otrokov M, Menshchikova T, Rusinov I, Vergniory M, Kuznetsov V and Chulkov E 2017 JETP Lett.105 297 [17] Hirahara T, Eremeev S, Shirasawa T, Okuyama Y, Kubo T, Nakanishi R, Akiyama R, Takayama A, Hajiri T, Ideta S, Matsunami M, Sumida K, Miyamoto K, Takagi Y, Tanaka K, Okuda T, Yokoyama T, Kimura S, Hasegawa S and Chulkov E 2017 Nano Lett.17 3493 [18] Petrov E, Silkin I, Menshchikova T and Chulkov E 2019 JETP Lett.109 121 [19] Zhang H, Qin W, Chen M, Cui P, Zhang Z and Xu X 2019 Phys. Rev. B99 165410 [20] Zou R, Zhan F, Zheng B, Wu X, Fan J and Wang R 2020 Phys. Rev. B101 161108 [21] Zhang H, Ning Y, Yang W, Zhang J, Zhang R and Xu X 2019 Phys. Chem. Chem. Phys.21 17087 [22] Qi S, Gao R, Chang M, Han Y and Qiao Z 2020 Phys. Rev. B101 014423 [23] Fu H, Liu C and Yan B 2020 Sci. Adv.6 eaaz0948 [24] Hogl P, Frank T, Zollner K, Kochan D, Gmitra M and Fabian J 2020 Phys. Rev. Lett.124 136403 [25] Cui Q, Liang J, Yang B, Wang Z, Li P, Cui P and Yang H 2020 Phys. Rev. B101 214439 [26] Zhu W, Song C, Liao L, Zhou Z, Bai H, Zhou Y and Pan F 2020 Phys. Rev. B102 085111 [27] Deng H, Chen Z, Wolos A, Konczykowski M, Sobczak K, Sitnicka J, Fedorchenko I, Borysiuk J, Heider T, Plucinski L, Park K, Georgescu A, Cano J and Elbaum L 2021 Nat. Phys.17 36 [28] Pan J, Yu J, Zhang Y, Du S, Janotti A, Liu C and Yan Q 2020 npj Comput. Mater.6 152 [29] Blochl P 1994 Phys. Rev. B50 17953 [30] Csonka G, Perdew J, Ruzsinszky A, Philipsen P, Lebégue S, Paier J, Vydrov O and Angyan J 2009 Phys. Rev. B79 155107 [31] Kresse G and Furthmuller J 1996 Phys. Rev. B54 11169 [32] Kresse G and Joubert D 1999 Phys. Rev. B59 1758 [33] Methfessel M and Paxton A T 1989 Phys. Rev. B40 3616 [34] Grimme S, Antony J, Ehrlich S and Krieg H 2010 J. Chem. Phys.132 154104 [35] Mostofi A, Yates J, Lee Y, Souza I, Vanderbilt D and Marzari N 2008 Comput. Phys. Commun.178 685 [36] Wu Q, Zhang S, Song H, Troyer M and Soluyanov A 2018 Comput. Phys. Comm.224 405 [37] Togo A and Tanaka I 2015 Scr. Mater.108 1 [38] Huang B, Clark G, Moratalla E, Klein D, Cheng R, Seyler K, Zhong D, Schmidgall E, McGuire M, Cobden D, Yao W, Xiao D, Herrero P and Xu X 2017 Nature546 270 [39] Haastrup S, Strange M, Pandey M, Deilmann T, Schmidt P S, Hinsche N F, Gjerding M N, Torelli D, Larsen P M, Riis-Jensen A C, Gath J, Jacobsen K W, Mortensen J J, Olsen T and Thygesen K S 2018 2D Mater.5 042002 [40] Gjerding M N, Taghizadeh A, Rasmussen A, Ali S, Bertoldo F, Deilmann T, Knosgaard N R, Kruse M, Larsen A H, Manti S, Pedersen T G, Petralanda U, Skovhus T, Svendsen M K, Mortensen J J, Olsen T and Thygesen K S 2021 2D Mater.8 044002 [41] Zhu Z, Cheng Y and Schwingenschlogl U 2012 Phys. Rev. B85 235401 [42] Bradlyn B, Elcoro L, Cano J, Vergniory M, Wang Z, Felser C, Aroyo M and Bernevig B 2017 Nature547 298 [43] Thouless D, Kohmoto M, Nightingale M and Nijs M 1982 Phys. Rev. Lett.49 405 [44] Tong Q, Yu H, Zhu Q, Wang Y, Xu X and Yao W 2017 Nat. Phys.13 356
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