Bravo Sergio, Correa Julián, Chico Leonor, Pacheco Mónica
Universidad Técnica Federico Santa María, Departamento de Física, Valparaíso, Chile.
Universidad de Medellín, Facultad de Ciencias Básicas, Medellín, Colombia.
Sci Rep. 2019 Sep 4;9(1):12754. doi: 10.1038/s41598-019-49187-w.
We analyze the symmetry and topological features of a family of materials closely related to penta-graphene, derived from it by adsorption or substitution of different atoms. Our description is based on a novel approach, called topological quantum chemistry, that allows to characterize the topology of the electronic bands, based on the mapping between real and reciprocal space. In particular, by adsorption of alkaline (Li or Na) atoms we obtain a nodal line metal at room temperature, with a continuum of Dirac points around the perimeter of the Brillouin zone. This behavior is also observed in some substitutional derivatives of penta-graphene, such as penta-PC. Breaking of time-reversal symmetry can be achieved by the use of magnetic atoms; we study penta-MnC, which also presents spin-orbit coupling and reveals a Chern insulator phase. We find that for this family of materials, symmetry is the source of protection for metallic and nontrivial topological phases that can be associated to the presence of fractional band filling, spin-orbit coupling and time-reversal symmetry breaking.
我们分析了一族与五边形石墨烯密切相关的材料的对称性和拓扑特征,这些材料是通过不同原子的吸附或取代从五边形石墨烯衍生而来的。我们的描述基于一种名为拓扑量子化学的新方法,该方法允许基于实空间和倒易空间之间的映射来表征电子能带的拓扑结构。特别是,通过吸附碱金属(锂或钠)原子,我们在室温下获得了一种节线金属,在布里渊区边界周围有连续的狄拉克点。在五边形石墨烯的一些取代衍生物中,如五边形PC中也观察到了这种行为。通过使用磁性原子可以实现时间反演对称性的破缺;我们研究了五边形MnC,它也呈现出自旋轨道耦合并揭示了一个陈绝缘体相。我们发现,对于这一族材料,对称性是金属和非平凡拓扑相的保护源,这些相可能与分数带填充、自旋轨道耦合和时间反演对称性破缺的存在有关。