两个钆吸附在Z型石墨烯纳米带上的第一性原理研究  

Two Gd Atoms Adsorbed on Zigzag Graphene Nanoribbon:A First-Principles Study

作　　者：谢伟锋 左旭 Xie Weifeng;Zuo Xu(College of Electronic Information and Optical Engineering,Nankai University,Tianjin 300350,China;Key Laboratory of Photoelectronic Thin Film Devices and Technology of Tianjin,Tianjin 300350,China;Engineering Research Center of Thin Film Optoelectronics Technology,Ministry of Education,Tianjin 300350,China)

机构地区：[1]南开大学电子信息与光学工程学院,天津300350 [2]天津市光电子薄膜器件与技术重点实验室,天津300350 [3]薄膜光电子技术教育部工程研究中心,天津300350

出　　处：《系统仿真学报》2020年第11期2208-2217,共10页Journal of System Simulation

基　　金：The science Challenge Project (TZ2016003-1-105);CAEP Microsystem and THz Science and Technology Foundation(CAEPMT201501);National Basic Research Program of China (2011CB606405)。

摘　　要：巨大的Rashba效应对于自旋电子学的应用至关重要,但很少涉及一维磁性体系,为了探究一维磁性体系Rashba效应的特征和强度,提出了两个钆原子吸附在Z型石墨烯纳米带上的一维磁性结构,通过第一性原理计算方法分析了不同磁态下不同磁化轴方向的Rashba效应以及体系的磁各向异性。结果表明,反铁磁基态下的体系具有很强的Rashba强度和面外磁各向异性能。磁性体系中的Rashba效应需要考虑磁性原子的自旋磁矩。这项工作对设计一维磁性Rashba体系具有重要的意义。A giant Rashba-type spin splitting is highly critical for the application of spintronics, but one-dimensional magnetic systems are rarely involved. In order to explore the characteristics and strength of Rashba effect in one-dimensional magnetic systems, two Gd atoms adsorbed on Zigzag graphene nanoribbon system is proposed. The characteristics and strength of the Rashba effect in different magnetization directions and the magnetic anisotropy of the system are analyzed through the first-principles calculations. The results show that the antiferromagnetic ground state system has strong Rashba strength and out-of-plane magnetic anisotropy. In addition, the Rashba effect in magnetic system needs to consider the spin magnetic moment of magnetic atoms. This work would be of great significance to the design of one-dimensional magnetic Rashba system.

关 键 词：钆原子 石墨烯纳米带 反铁磁 Rashba效应 

分 类 号：TP391.9[自动化与计算机技术—计算机应用技术]