First-principles studies of electronic and transport properties of one-dimensional edge states of nano-structured topological insulators

纳米结构拓扑绝缘体一维边缘态电子和输运特性的第一性原理研究

• 批准号: 237672149
• 负责人: Dr. Gustav Bihlmayer
• 金额: --
• 依托单位: PGI-1 / IAS-1: Quanten-Theorie der Materialien
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2013
• 资助国家: 德国
• 起止时间: 2012-12-31 至 2018-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/237672149?language=en
• 关键词: First; principles; studies; electronic; transport

This project will provide electronic and transport properties of the edge channels mainly of two-dimensional topological insulators (TIs), topological crystalline insulators and quantum anomalous Hall insulators from first principles calculations. Being material specific, density functional theory allows us to investigate e.g. interfaces between TIs and substrates that may be magnetic or nonmagnetic, insulating of metallic, that are ideal or possess step edges, stacking faults or defects. Similarly, the edges of the TI will be studied in ideal and realistic configurations showing different terminations, reconstructions etc. Applying techniques for predicting ballistic transport, we would like to link the experimentally accessible data on structure and electronic structure to the measurements of edge conduction. Promising materials, identified in the first funding period, will be in the focus as well as new structures explored by our experimental partners.

本项目将从第一性原理计算出发，提供主要由二维拓扑绝缘体(TIS)、拓扑晶体绝缘体和量子反常霍尔绝缘体组成的边缘沟道的电子和输运特性。由于材料的特殊性，密度泛函理论使我们能够研究TiS和衬底之间的界面，这些界面可以是磁性的或非磁性的，绝缘的金属，理想的或具有阶跃边缘的，堆积缺陷或缺陷。同样，将在理想和现实的构型下研究TI的边缘，显示不同的终止、重建等。应用预测弹道传输的技术，我们希望将实验上可获得的结构和电子结构数据与边缘传导的测量联系起来。在第一个资助期确定的有希望的材料将成为重点，以及我们的实验合作伙伴探索的新结构。