Prediction of two-dimensional organic topological insulator in metal-DCB lattices

Hsu, Chia-Hsiu1; Huang, Zhi-Quan2; Macam, Gennevieve M.2; Chuang, Feng-Chuan2; Huang, Li1

2018-12-03

10.1063/1.5064610

APPLIED PHYSICS LETTERS   影响因子和分区

0003-6951

1077-3118

Based on first-principles calculations, we systematically investigated a two-dimensional (2D) organometallic framework consisting of metal atoms (elements from groups IIIA, IVA, VA, VIA, IB, and Pt) and dicyanobenzenes (DCBs). Our stability analysis showed that the system prefers the buckled structure in metals with p-orbital valence electrons, whereas in metals with d-orbitals, the planar phase is preferable. Topological invariants (Z2) of these systems were calculated, and they are identified as 2D intrinsic organic topological insulators. Au-and Bi-DCB are exemplar materials with the largest bandgaps within IB and VA groups. Moreover, Au-DCB exhibits robustness of its topological phase against strain. Furthermore, the topologically protected edge states in Au-DCB are identified to further verify the Z2 invariant. Interestingly, utilizing hole doping in Bi-DCB leads to a nearly flat Chern band and results in the quantum anomalous Hall phase. Our results suggest that these organometallic frameworks are promising for potential applications in quantum spintronics with the merits of low cost and ease of synthesis. Published by AIP Publishing.

SCI ; EI

英语

NI论文

第一 ; 通讯

Ministry of Science and Technology of Taiwan[MOST-107-2668-M-110-001-MY3]

Physics

Physics, Applied

WOS:000452555500031

AMER INST PHYSICS

20185006235985

Calculations ; Electric insulators ; Gold compounds ; Metals ; Organometallics

Organic Compounds:804.1 ; Mathematics:921 ; Combinatorial Mathematics, Includes Graph Theory, Set Theory:921.4

PHYSICS

Web of Science

1.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Guangdong, Peoples R China
2.Natl Sun Yat Sen Univ, Dept Phys, Kaohsiung 804, Taiwan

Hsu, Chia-Hsiu,Huang, Zhi-Quan,Macam, Gennevieve M.,et al. Prediction of two-dimensional organic topological insulator in metal-DCB lattices[J]. APPLIED PHYSICS LETTERS,2018,113(23).

Hsu, Chia-Hsiu,Huang, Zhi-Quan,Macam, Gennevieve M.,Chuang, Feng-Chuan,&Huang, Li.(2018).Prediction of two-dimensional organic topological insulator in metal-DCB lattices.APPLIED PHYSICS LETTERS,113(23).

Hsu, Chia-Hsiu,et al."Prediction of two-dimensional organic topological insulator in metal-DCB lattices".APPLIED PHYSICS LETTERS 113.23(2018).