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   影响因子和分区

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 ; EI

英语

NI论文

其他

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

Physics

Physics, Applied

WOS:001035443400017

AIP Publishing

20233214489731

Crystal symmetry ; Magnesium compounds ; Momentum ; Quantum Hall effect ; Spin Hall effect

Magnetism: Basic Concepts and Phenomena:701.2 ; Physical Chemistry:801.4 ; Classical Physics; Quantum Theory; Relativity:931 ; Mechanics:931.1 ; Atomic and Molecular Physics:931.3 ; Crystal Lattice:933.1.1

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).