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arXiv 2201.03867cond-mat.mtrl-sci
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嵌入过渡金属原子和可调磁各向异性能的石墨烯晶格:对自旋电子器件的启示

Graphene Lattices with Embedded Transition-Metal Atoms and Tunable Magnetic Anisotropy Energy: Implications for Spintronic Devices

Rostislav Langer, Kimmo Mustonen, Alexander Markevich, Michal Otyepka, Toma Susi, Piotr Błoński

摘要:

在石墨烯晶格中掺杂过渡金属原子以获得高的磁各向异性能(MAE)是材料研究的重要目标,这是由于其在自旋电子学中的潜在应用。本文利用自旋极化密度泛函理论(densityfunctionaltheory,DFC),结合自旋轨道耦合,研究了含空位缺陷的石墨烯(nitrogen-doped graphene)的磁性,包括裸石墨烯和氮修饰石墨烯,以及Cr,Mn和Fe过渡金属单原子(TM-SA)和两种不同的TM原子同时掺杂石墨烯的磁性。[...]计算结果的补充原子分辨率表征的附带Mn杂质键合到四个碳原子,其本地化的自旋匹配预期使用芯级电子能量损失谱测量。具有强磁性的导电TM掺杂石墨烯为石墨烯基自旋电子器件的设计提供了前景。

英文摘要:

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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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