自旋轨道耦合对二维范德华异质结构电子结构的影响预测。

Prediction of spin-orbital coupling effects on the electronic structure of two dimensional van der Waals heterostructures.

作者信息

You Baiqing, Wang Xiaocha, Mi Wenbo

机构信息

Tianjin Key Laboratory of Film Electronic & Communicate Devices, School of Electronics Information Engineering, Tianjin University of Technology, Tianjin 300384, China.

Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology, Faculty of Science, Tianjin University, Tianjin 300072, China.

出版信息

Phys Chem Chem Phys. 2015 Dec 14;17(46):31253-9. doi: 10.1039/c5cp05068e.

DOI:10.1039/c5cp05068e

PMID:26549052

Abstract

We report a first-principles study on the electronic structure of van der Waals (vdW) heterostructures consisting of two dimensional (2D) materials. Herewith, we focus on the effects of spin-orbital coupling (SOC) and vdW forces. It is found that all 2D vdW heterostructures can preserve the electronic structure of the isolated 2D materials in the heterostructures. The 2D vdW h-BN/G and h-BN/BP heterostructures show the n-type Schottky barriers. The MoS2/G heterostructures show the p-type doping and a strong spin splitting due to SOC, which are the important features that provide a promising future for the application in electronics, optoelectronics and spin-filter devices.

摘要

我们报道了一项关于由二维（2D）材料组成的范德华（vdW）异质结构电子结构的第一性原理研究。在此，我们关注自旋轨道耦合（SOC）和范德华力的影响。研究发现，所有二维范德华异质结构都能在异质结构中保留孤立二维材料的电子结构。二维范德华h-BN/G和h-BN/BP异质结构呈现n型肖特基势垒。MoS2/G异质结构呈现p型掺杂以及由于自旋轨道耦合导致的强自旋分裂，这些重要特性为其在电子学、光电子学和自旋过滤器件中的应用提供了广阔前景。