Magnetic two-dimensional organic topological insulator:   Au-1,3,5-triethynylbenzene framework

doi:10.1063/1.4991427

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	Magnetic two-dimensional organic topological insulator: Au-1,3,5-triethynylbenzene framework
	Chen, Yu ; Sun, Qiang
刊名	JOURNAL OF CHEMICAL PHYSICS
	2017
关键词	ON-SURFACE SYNTHESIS BRILLOUIN-ZONE HALL PREDICTION STATE
DOI	10.1063/1.4991427
英文摘要	Based on first-principles calculations, we demonstrate that the recently-synthesized 2D organometallic framework consisting of Au atoms and 1,3,5-triethynylbenzene (Au-TEB) is a magnetic 2D organic topological insulator (OTI). The charge transfer and covalent bonding character lead to ferromagnetism and half-metallicity in the framework, and the weak spin-orbit coupling (SOC) of C p(z) orbitals mediated by Au d orbitals opens modest bandgaps in the vicinity of the Fermi level. Moreover, using tight-binding model simulations, we further characterize the nonzero Chern number and edge states of Au-TEB to confirm its topological nontriviality that remains intact when the framework is supported on an insulating substrate, and applying an external strain can increase the magnitude of SOC gaps, leading to an enhanced topological nontriviality. Our results suggest that the Au-TEB organometallic framework is promising for the potential applications in quantum spintronics with the merits of low cost and easy synthesis. Published by AIP Publishing.; National Natural Science Foundation of China [NSFC-21573008, 21773003]; Ministry of Science and Technology of China [2017YFA0204902]; SCI(E); ARTICLE; 10; 147
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/470878]
专题	工学院
推荐引用方式 GB/T 7714	Chen, Yu,Sun, Qiang. Magnetic two-dimensional organic topological insulator: Au-1,3,5-triethynylbenzene framework[J]. JOURNAL OF CHEMICAL PHYSICS,2017.
APA	Chen, Yu,&Sun, Qiang.(2017).Magnetic two-dimensional organic topological insulator: Au-1,3,5-triethynylbenzene framework.JOURNAL OF CHEMICAL PHYSICS.
MLA	Chen, Yu,et al."Magnetic two-dimensional organic topological insulator: Au-1,3,5-triethynylbenzene framework".JOURNAL OF CHEMICAL PHYSICS (2017).