Rational design of quantum spin Hall phase in type-III van der Waals heterostructures

Xiao，Xiaoliang1; Xie，Zijuan2; Kong，Weixiang1; Fan，Jing3; Chen，Zhongjia4; Wang，Rui1,5,6; Wu，Xiaozhi1,5

2023-07-24

10.1063/5.0160079

Applied Physics Letters   Impact Factor & Quartile

0003-6951

1077-3118

Van der Waals heterostructures (vdWHs) are effective platforms for exploring various attractive topological phases. Here, based on the low-energy effective k · p model, we propose that the type-III vdWHs, which were previously considered as only belonging to trivial metallic phases, can realize the nontrivial quantum spin Hall (QSH) effect. We reveal that the band inversion of such a QSH phase is attributed to the band alignment of momentum space matching, i.e., the conduction band minimum and valence band maximum located at the same point in momentum space near the Fermi level. Moreover, using first-principles calculations, we show that the Mg(OH)/GaO heterobilayer, a typical type-III vdWH with high thermodynamic stability, is an ideal candidate for achieving our strategy. We further calculate the helical gapless edge states and quantized spin Hall conductance, which are visible inside the global bandgap, thus facilitating the experimental observation. Our work offers a promising pathway for realizing the QSH phase in natural materials.

SCI

English

NI Journal Papers ; NI论文

Others

Natural Science Foundation of China (NSFC)["12174040","12147102"] ; Chongqing Natural Science Foundation[cstc2020jcyj-msxmX0118]

Physics

Physics, Applied

WOS:001035443400017

AIP Publishing

PHYSICS

2-s2.0-85166469010

Scopus

1.Institute for Structure and Function,Department of Physics,Chongqing University,Chongqing,401331,China
2.International School of Microelectronics,Dongguan University of Technology,Dongguan,523000,China
3.Center for Computational Science and Engineering,Southern University of Science and Technology,Shenzhen,518055,China
4.Songshan Lake Materials Laboratory,Dongguan,Guangdong,523000,China
5.Chongqing Key Laboratory for Strongly Coupled Physics,Chongqing,401331,China
6.Center of Quantum Materials and Devices,Chongqing University,Chongqing,401331,China

Xiao，Xiaoliang,Xie，Zijuan,Kong，Weixiang,et al. Rational design of quantum spin Hall phase in type-III van der Waals heterostructures[J]. Applied Physics Letters,2023,123(4).

Xiao，Xiaoliang.,Xie，Zijuan.,Kong，Weixiang.,Fan，Jing.,Chen，Zhongjia.,...&Wu，Xiaozhi.(2023).Rational design of quantum spin Hall phase in type-III van der Waals heterostructures.Applied Physics Letters,123(4).

Xiao，Xiaoliang,et al."Rational design of quantum spin Hall phase in type-III van der Waals heterostructures".Applied Physics Letters 123.4(2023).