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Spin-gapless and -gapped band structures of non-compensated bonding BN/Graphene bilayer
Journal of Physics D: Applied Physics ( IF 3.1 ) Pub Date : 2020-09-28 , DOI: 10.1088/1361-6463/abb0bc
Dongfeng Hao 1 , Han Xiaoyu 2 , Yanbo Zi 1 , Chong Li 1 , Chunyao Niu 1 , Fei Wang 1 , Jun-Hyung Cho 1, 3 , Yu Jia 1
Affiliation  

Magnetized graphene is a promising candidate for spintronic devices, where half-semimetallic or -semiconducting property is highly desirable. Using first-principles calculations, we show that stable ferromagnetic ordering can exist readily in non-compensated bonding BN/graphene bilayer with triangular defects (TDs) by analogizing with bonding BN/BN bilayer observed in experiment. More intriguingly, regardless of the non-compensated defect states in the gap, such spin-polarized BN/graphene bilayer exhibits spin-gapless and -gapped semiconducting band structures with quadratic and linear dispersion, respectively, depending on the size of TDs. The massive or massless electronic states of bonding BN/graphene are associated with the electron localization degree at the zigzag edges of TDs. Our findings might provide another feasible strategy to realize stable magnetized graphene and engineer its electronic and magnetic features.

中文翻译:

非补偿键合BN /石墨烯双层的自旋无隙和带隙结构

磁化石墨烯是自旋电子器件的有前途的候选者,其中非常需要半半金属或半导体性能。使用第一性原理计算,我们通过与实验中观察到的粘结BN / BN双层相似,表明在具有三角形缺陷(TD)的非补偿粘结BN /石墨烯双层中可以容易存在稳定的铁磁有序。更有趣的是,不管间隙中的未补偿缺陷状态如何,根据TD的大小,这种自旋极化的BN /石墨烯双分子层均表现出具有自旋无隙和带隙半导体带,分别具有二次和线性色散。结合BN /石墨烯的大块或无块电子态与TD的锯齿形边缘的电子定位度有关。
更新日期:2020-09-29
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