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Induced Ferromagnetic Order of Graphdiyne Semiconductors by Introducing a Heteroatom.
ACS Central Science ( IF 12.7 ) Pub Date : 2020-05-13 , DOI: 10.1021/acscentsci.0c00348
Mingjia Zhang 1 , Xiaoxiong Wang 2 , Huijuan Sun 2 , Naiyin Wang 3 , Jianjiang He 1 , Ning Wang 4 , Yunze Long 2 , Changshui Huang 1, 5 , Yuliang Li 6
Affiliation  

To date, the realization of ferromagnetism in two-dimensional carbon semiconductors containing only sp electrons has remained a challenge for spintronics. Here, we utilize the atomic-level functionalization strategy to obtain three carbon matrix materials by accurately introducing different light elements (H, F, Cl) into graphdiyne’s benzene ring. Their magnetic and conductive characteristics are thoroughly clarified via physical property measurements and DFT calculations. All of these carbon matrix materials retain their excellent intrinsic semiconductor properties. In particular, compared with the paramagnetism of HsGDY and ClsGDY, a robust ferromagnetic ordering as well as high mobility of up to 320 cm2 V–1 s–1 was observed in FsGDY, successfully realizing a ferromagnetic semiconductor. Through theory calculations, this unique ferromagnetic coupling can be attributed to the most striking charge transfer between carbon and fluorine atoms, demonstrating the advantages of controllable fabrication. These results not only reveal the important role of atomic-scale doping/substitution in optimizing graphdiyne material but also create new possibilities for manipulating spins and charges in 2D carbon materials.

中文翻译:

通过引入杂原子来诱导Graphdiyne Semiconductors的铁磁有序。

迄今为止,在仅包含sp电子的二维碳半导体中实现铁磁性仍然是自旋电子学的挑战。在这里,我们利用原子级官能化策略,通过将不同的轻元素(H,F,Cl)准确引入石墨二炔的苯环中来获得三种碳基材料。通过物理性能测量和DFT计算可以彻底阐明它们的磁性和导电特性。所有这些碳基质材料都保留了其优异的固有半导体性能。特别是,与HsGDY和ClsGDY的顺磁性相比,铁磁有序性强,迁移率高达320 cm 2 V –1 s –1在FsGDY中观察到,成功实现了铁磁半导体。通过理论计算,这种独特的铁磁耦合可归因于碳和氟原子之间最惊人的电荷转移,从而证明了可控制造的优势。这些结果不仅揭示了原子级掺杂/取代在优化石墨二炔材料中的重要作用,而且为操纵二维碳材料中的自旋和电荷创造了新的可能性。
更新日期:2020-06-24
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