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

Abstract

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.