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Chemically Engineering Magnetic Anisotropy of 2D Metalloporphyrin
Advanced Science ( IF 14.3 ) Pub Date : 2017-07-18 05:06:35 , DOI: 10.1002/advs.201700019
Peng Wang 1 , Xue Jiang 1 , Jun Hu 2 , Jijun Zhao 1
Affiliation  

Continuous miniaturization of magnetic units in spintronics devices inspires efforts to search for novel 2D magnetic materials with giant magnetic anisotropy energy (MAE). Through systematic first-principles calculations, large MAE of 24 meV in W or Re embedded 2D polyporphyrin frameworks is found. Interestingly, the MAE can be enhanced up to 60 meV, through replacing the hydrogen atoms on the edges of the Re based 2D polyporphyrin framework by hydroxyl and amino radicals. Analysis of the electronic structures reveals that the enhancement of MAE is mainly attributed to charge redistributions and energy shifts of Re 5d orbitals induced by the functional radicals. The findings pave a new and feasible way for tailoring the magnetic properties of magnetic organic materials to fulfill the criteria for applications in spintronics devices at high temperature.

中文翻译:


二维金属卟啉的化学工程磁各向异性



自旋电子器件中磁性单元的不断小型化激发了寻找具有巨大磁各向异性能量(MAE)的新型二维磁性材料的努力。通过系统的第一性原理计算,发现W或Re嵌入的二维多卟啉框架具有24 meV的大MAE。有趣的是,通过用羟基和氨基取代 Re 基 2D 多卟啉骨架边缘的氢原子,MAE 可以增强至 60 meV。电子结构分析表明,MAE的增强主要归因于功能自由基引起的Re 5d轨道的电荷重新分布和能量转移。这些发现为定制磁性有机材料的磁性以满足高温自旋电子器件的应用标准铺平了一条新的可行的方法。
更新日期:2017-07-19
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