Two-dimensional rectangular bismuth bilayer: A novel dual topological insulator

doi:10.1007/s11467-023-1262-x

Front. Phys.

2023, Vol. 18

Issue (4) : 43301 https://doi.org/10.1007/s11467-023-1262-x

RESEARCH ARTICLE

Two-dimensional rectangular bismuth bilayer: A novel dual topological insulator

Shengshi Li¹(

), Weixiao Ji¹, Jianping Zhang¹, Yaping Wang²(

), Changwen Zhang¹, Shishen Yan¹

¹. Spintronics Institute, School of Physics and Technology, University of Jinan, Jinan 250022, China
². State Key Lab of Crystal Materials and Institute of Crystal Materials, Shandong University, Jinan 250100, China

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Abstract

Dual topological insulator (DTI), which simultaneously hosts topological insulator (TI) and topological crystalline insulator (TCI) phases, has attracted extensive attention since it has a better robustness of topological nature and broad application prospects in spintronics. However, the realization of DTI phase in two-dimensional (2D) system is extremely scarce. By first-principles calculations, we predict that the 2D rectangular bismuth (R−Bi) bilayer is a novel DTI, featured by $\textcolor [R G B] 12, 108, 100 Z 2$ topological invariant $\textcolor [R G B] 12, 108, 100 Z 2$ = 1, mirror Chern number C_M = −1, and metallic edge states within the bulk band gap. More interestingly, the TCI phase in bilayer is protected by horizontal glide mirror symmetries, rather than the usual mirror symmetry. The bulk band gap can be effectively tuned by vertical electric field and strain. Besides, the electric field can trigger the transition between TI and metallic phases for the bilayer, accompanied by the annihilation of TCI phase. On this basis, a topological field effect transistor is proposed, which can rapidly manipulate spin and charge carriers via electric field. The KBr(110) surface is demonstrated as an ideal substrate for the deposition of bilayer. These findings provide not only a new strategy for exploiting 2D DTI, but also a promising candidate for spintronic applications.

Keywords dual topological insulator Bi bilayer glide mirror symmetry first-principles calculations

Corresponding Author(s): Shengshi Li,Yaping Wang

About author:

Changjian Wang and Zhiying Yang contributed equally to this work.

Issue Date: 27 February 2023

Cite this article:

Shengshi Li,Weixiao Ji,Jianping Zhang, et al. Two-dimensional rectangular bismuth bilayer: A novel dual topological insulator[J]. Front. Phys. , 2023, 18(4): 43301.

URL:

https://academic.hep.com.cn/fop/EN/10.1007/s11467-023-1262-x
https://academic.hep.com.cn/fop/EN/Y2023/V18/I4/43301

Fig.1 (a) Top and side views, as well as bonding mode of R−Bi bilayer. The purple and bule balls represent upper and lower Bi atoms, respectively. (b−d) Orbital-resolved band structure without SOC and calculated charge density distributions of C_Γ and V_Γ. (e, f) Orbital-resolved band structure with SOC and calculated charge density distributions of C_Γ and V_Γ. The green and orange circles in (b) and (e) indicate p_z and p_x,y orbitals, respectively.

Fig.2 (a) Variations of energy levels and band gap as a function of SOC strength η for R−Bi bilayer. (b, c) Calculated WCCs and edge states of R−Bi bilayer. (d) Evolution of atomic orbitals under chemical bonding, crystal field, and SOC effects.

Fig.3 (a) Variation of band gap as a function of

E ⊥

for R−Bi bilayer. The upper and lower insets are schematic diagram of electric field applied to bilayer and SOC band structure of bilayer under the

E ⊥

of −0.45 V/Å, respectively. (b) Prototype of designed TFET based on R−Bi bilayer.

Fig.4 (a, b) Top and side views of vdW heterostructure composed of R−Bi bilayer and KBr(110) surface. (c) Calculated SOC band structure of vdW heterostructure.

Fig.5 (a−c) Variations of energy levels and band gap as a function of a-axial, b-axial, and biaxial strains, respectively. (d) Phase diagram of band gap for R−Bi bilayer under the dual regulation of a-axial and b-axial strains. The dotted line is the boundary of DTI and metal phases.

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