Edge Doping Engineering of High-Performance Graphene Nanoribbon Molecular Spintronic Devices

Nanomaterials

卷:12

Haiqing Wan¹  Xianbo Xiao²  Yee Sin Ang³ 

[1] Department of Ecology and Environment, Yuzhang Normal University, Nanchang 330029, China;

[2] School of Computer Science, Jiangxi University of Chinese Medicine, Nanchang 330004, China;

[3] Science, Mathematics and Technology (SMT), Singapore University of Technology and Design, Singapore 487372, Singapore;

关键词: density functional theory;    graphene spintronics;    quantum transport;   

DOI  :  10.3390/nano12010056

来源: DOAJ

【 摘 要 】

We study the quantum transport properties of graphene nanoribbons (GNRs) with a different edge doping strategy using density functional theory combined with nonequilibrium Green’s function transport simulations. We show that boron and nitrogen edge doping on the electrodes region can substantially modify the electronic band structures and transport properties of the system. Remarkably, such an edge engineering strategy effectively transforms GNR into a molecular spintronic nanodevice with multiple exceptional transport properties, namely: (i) a dual spin filtering effect (SFE) with 100% filtering efficiency; (ii) a spin rectifier with a large rectification ratio (RR) of 1.9 ×${10}^6$; and (iii) negative differential resistance with a peak-to-valley ratio (PVR) of 7.1 ×${10}^5$. Our findings reveal a route towards the development of high-performance graphene spintronics technology using an electrodes edge engineering strategy.

【 授权许可】

Unknown