论文标题
具有嵌入式过渡金属原子和可调磁各向异性能量的石墨烯晶格：对Spintronic设备的影响
Graphene Lattices with Embedded Transition-Metal Atoms and Tunable Magnetic Anisotropy Energy: Implications for Spintronic Devices
论文作者
论文摘要
用过渡金属原子掺杂石墨烯晶格，导致高磁各向异性能量（MAE）是材料研究的重要目标，这是由于其潜在的旋转型物质。在本文中，通过使用包括自旋轨道耦合在内的自旋偏振密度函数理论，我们检查了石墨烯的磁性特性，裸氮和氮的空缺缺陷，并被CR，MN和Fe Transition Metal单原子（TM-SA）和两个不同的TM原子掺杂。 [...]计算结果是通过与四个碳原子键合的偶然MN杂质的原子分辨率表征来补充的，该杂质杂质粘结，其局部旋转匹配了使用核心级电子能量损失光谱测量的预期。具有强大磁性功能的TM掺杂石墨烯为基于石墨烯的Spintronic设备设计提供了前景。
Doping of the graphene lattice with transition metal atoms resulting in high magnetic anisotropy energy (MAE) is an important goal of materials research owing to its potential application in spintronics. In this article, by using spin-polarized density functional theory including spin-orbit coupling, we examined magnetic properties of graphene with vacancy defects, both bare and nitrogen-decorated, and doped by Cr, Mn and Fe transition metal single atom (TM-SA) and two different TM atoms simultaneously. [...] The computational findings are supplemented by an atomic-resolution characterization of an incidental Mn impurity bonded to four carbon atoms, whose localized spin matches expectations as measured using core-level electron energy-loss spectroscopy. Conducting TM-doped graphene with robust magnetic features offers prospects for the design of graphene-based spintronic devices.
