Abstract
The properties of the 2D material are sometimes very different to the bulk. This thesis devotes to investigate some 2D material cases by the first-principles calculation. Calculate these material’s electronic structures to find novel properties and possible further research. Lots of 2D material has raised great interests among scientists. The quantum Hall Effect started the research of the 2D edge-states current. The Z2 topological insulator also caught researchers’ eye sight for a long time. Since the development of electronic industry, thinner and lighter materials are needed. The 2D material would be more and more important in the future. There are lots of 2D materials that have not been studied yet, and worth to be mined.