Zhang Li, Wang Kai
Changchun Institute of Technology, Changchun, China.
Engineering Research Center (ERC), Harbin Medical University, Harbin, China.
Front Chem. 2020 Sep 23;8:585753. doi: 10.3389/fchem.2020.585753. eCollection 2020.
Type II nodal line states have novel properties, such as direction-reliant chiral anomalies and high anisotropic negative magneto-resistance. These type II nodal line states have been widely investigated. Compared to nodal line materials, there are far fewer proposed nodal surface materials, and furthermore, a very recent challenge is to find a realistic material that co-exhibits both nodal line and nodal surface states. In this manuscript, we present the study of the electronic and topological states of pure zirconium within the density functional theory. We found that pure Zr is an interesting material that rarely exhibits both the type II nodal line state (in k = 0 plane) and nodal surface state (in k = π plane). The nontrivial topological states are explained based on the orbital-resolved band structures. Our study shows that pure Zr can serve as a new platform to investigate the interplay between the nodal line state and the nodal surface state.
II型节线态具有新颖的性质，例如依赖方向的手征反常和高度各向异性的负磁阻。这些II型节线态已得到广泛研究。与节线材料相比，提出的节面材料要少得多，此外，最近一个极具挑战性的问题是找到一种同时展现节线态和节面态的实际材料。在本论文中，我们在密度泛函理论框架下对纯锆的电子态和拓扑态进行了研究。我们发现纯Zr是一种有趣的材料，它很少同时展现II型节线态（在k = 0平面）和节面态（在k = π平面）。基于轨道分辨能带结构对非平凡拓扑态进行了解释。我们的研究表明，纯Zr可作为研究节线态和节面态之间相互作用的新平台。
