The new two-dimensional graphitic material, graphdiyne, has attracted great interest recently due to the superior intrinsic semiconductor properties. Here we investigate the magnetism of pure graphdiyne material and find it demonstrating a remarkable paramagnetic characteristic, which can be attributed to the appearance of special sp-hybridized carbon atoms. On this basis, we further introduce nitrogen with 5.29% N/C ratio into graphdiyne followed by simply annealing in a dopant source and realize a twofold enhancement of saturation moment at 2 K. Associate with the density of states calculation, we investigate the influence of the nitrogen atom doping sites on paramagnetism, and further reveal the important role of doped nitrogen atom on benzene ring in improving local magnetic moment. These results can not only help us deeply understand the intrinsic magnetism of graphdiyne, but also open an efficient way to improve magnetism of graphdiyne by hetero atom doping, like nitrogen doping, which may promote the potential application of graphdiyne in spintronics.

中文翻译：

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通过掺杂氮增强介观石墨二炔的顺磁性。

新型的二维石墨材料graphdiyne由于其优异的固有半导体性能而引起了人们的极大兴趣。在这里，我们研究了纯石墨二炔材料的磁性，发现它表现出显着的顺磁特性，这可以归因于特殊的sp杂化碳原子的出现。在此基础上，我们进一步将氮/碳比为5.29％的氮引入石墨二炔中，然后在掺杂源中进行简单退火，实现2 K下饱和矩的两倍增强。氮原子的掺杂位在顺磁性上，进一步揭示了苯环上掺杂的氮原子在改善局部磁矩中的重要作用。