Kong Weixiang, Wang Rui, Xiao Xiaoliang, Zhan Fangyang, Gan Li-Yong, Wei Juan, Fan Jing, Wu Xiaozhi
Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044, People's Republic of China.
Center for Computational Science and Engineering, Southern University of Science and Technology, Shenzhen 518055, People's Republic of China.
J Phys Chem Lett. 2021 Nov 11;12(44):10874-10879. doi: 10.1021/acs.jpclett.1c02996. Epub 2021 Nov 3.
The exploration of carbon phases with intact massless Dirac fermions in the presence of defects is critical for practical applications to nanoelectronics. Here, we identify by first-principles calculations that the Dirac cones can exist in graphene with stacking fault (SF) induced periodic line defects. These structures are width ()-dependent to graphene nanoribbon and are thus termed as (SF)-graphene. The electronic properties reveal that the semimetallic features with Dirac cones occur in (SF)-graphene with = 3 + 1, where is a positive integer, and then lead to a quasi-one-dimensional conducting channel. Importantly, it is found that the twisted Dirac cone in the (SF)-graphene is tunable among type-I, type-II, and type-III through a small uniaxial strain. The further stability analysis shows that (SF)-graphene is thermodynamic stable. Our findings provide an artificial avenue for exploring Dirac Ffermions in carbon-allotropic structures in the presence of defects.
在存在缺陷的情况下探索具有完整无质量狄拉克费米子的碳相对于纳米电子学的实际应用至关重要。在这里,我们通过第一性原理计算确定,狄拉克锥可以存在于具有堆垛层错(SF)诱导的周期性线缺陷的石墨烯中。这些结构与石墨烯纳米带的宽度()有关,因此被称为(SF)-石墨烯。电子性质表明,具有狄拉克锥的半金属特征出现在 = 3 + 1的(SF)-石墨烯中,其中是正整数,然后导致准一维导电通道。重要的是,发现(SF)-石墨烯中的扭曲狄拉克锥可以通过小的单轴应变在I型、II型和III型之间调节。进一步的稳定性分析表明,(SF)-石墨烯是热力学稳定的。我们的发现为在存在缺陷的碳同素异形体结构中探索狄拉克费米子提供了一条人工途径。