论文标题
结构障碍驱动的拓扑相过渡在非中心对称bitei中
Structural disorder-driven topological phase transition in noncentrosymmetric BiTeI
论文作者
论文摘要
我们研究了使用结构障碍在固态系统中诱导拓扑阶段的可能性。使用第一原理计算，我们在琐碎的绝缘子bitei中引入结构性障碍，并观察到拓扑绝缘阶段的出现。通过修改键合环境，晶体场分裂得到增强，并且自旋轨道相互作用会在整体电子结构中产生带反转。对Wannier电荷中心和表面电子结构的分析揭示了具有狄拉克表面状态的强拓扑绝缘子。最后，我们提出了一种从晶体材料中诱导止痛药引起拓扑状态的处方。了解当地环境如何产生拓扑阶段是预测无序和无定形拓扑材料的关键步骤。
We investigate the possibility of using structural disorder to induce a topological phase in a solid state system. Using first-principles calculations, we introduce structural disorder in the trivial insulator BiTeI and observe the emergence of a topological insulating phase. By modifying the bonding environments, the crystal-field splitting is enhanced and the spin-orbit interaction produces a band inversion in the bulk electronic structure. Analysis of the Wannier charge centers and the surface electronic structure reveals a strong topological insulator with Dirac surface states. Finally, we propose a prescription for inducing topological states from disorder in crystalline materials. Understanding how local environments produce topological phases is a key step for predicting disordered and amorphous topological materials.
