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Structural disorder-driven topological phase transition in noncentrosymmetric BiTeI
Physical Review B ( IF 3.7 ) Pub Date : 2021-06-21 , DOI: 10.1103/physrevb.103.214203
Paul Corbae , Frances Hellman , Sinéad M. Griffin

We investigate using local structural disorder to induce a topologically nontrivial 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, with spin-orbit interactions producing 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.

中文翻译:

非中心对称 BiTeI 中结构无序驱动的拓扑相变

我们研究使用局部结构无序在固态系统中诱导拓扑非平凡相。使用第一性原理计算,我们在平凡绝缘体 BiTeI 中引入结构无序,并观察拓扑绝缘相的出现。通过修改键合环境,晶体场分裂得到增强,自旋轨道相互作用在体电子结构中产生能带反转。万尼尔电荷中心和表面电子结构的分析揭示了具有狄拉克表面态的强拓扑绝缘体。最后,我们提出了一种从晶体材料的无序中诱导拓扑状态的处方。了解局部环境如何产生拓扑相是预测无序和无定形拓扑材料的关键步骤。
更新日期:2021-06-21
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