Jafari Mirali, Dyrdał Anna
Department of Mesoscopic Physics, ISQI, Faculty of Physics, Adam Mickiewicz University, ul. Uniwersytetu Poznańskiego 2, 61-614 Poznań, Poland.
Molecules. 2022 Mar 29;27(7):2228. doi: 10.3390/molecules27072228.
Using the density functional theory, we calculate electronic states of various nanoribbons and nanodiscs formed from selected two-dimensional materials, such as graphene, silicene, and hexagonal boron nitride. The main objective of the analysis is a search for zero-energy states in such systems, which is an important issue as their presence indicates certain topological properties associated with chirality. The analysis is also supported by calculating transport properties.
利用密度泛函理论，我们计算了由选定的二维材料（如石墨烯、硅烯和六方氮化硼）形成的各种纳米带和纳米盘的电子态。分析的主要目的是在这类系统中寻找零能态，这是一个重要问题，因为零能态的存在表明了与手性相关的某些拓扑性质。对输运性质的计算也为该分析提供了支持。
