First-Principles Research on the Structural and Electric Properties of the Graphene-Like Alkali-Metal Absorbed InSe-M

3rd Annual International Workshop on Materials Science and Engineering

Kang, Wei^1 ; Zhou, Tingyan^1 ; Liu, Jun^1

School of Science, Chongqing University of Posts and Telecommunications, Chongqing

400065, China^1

关键词: Absorption energies;    Absorption structure;    First principles;    First-principles calculation;    Graphene likes;    Metal absorption;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/250/1/012018/pdf
DOI  :  10.1088/1757-899X/250/1/012018

来源: IOP

【 摘 要 】

The structural and electric properties of the alkali-metal absorbed monolayer InSe-M (M=Li, Na, K and Rb) are studied by the first-principles calculations. The absorption energies of the monolayer InSe-M are negative so that they have stable absorption structures, indicating that it is possible to prepare them in experiments. The pristine monolayer InSe is typical conductor, but the alkali-metal absorbed monolayer InSe-M are electronically conductive. Therefore, the alkali-metal absorption causes important influence on the electric properties of the monolayer InSe. However, too little calculated magnetic moments show that the alkali-metal absorption causes little influence on the magnetic properties of the monolayer InSe.