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Si-Ge monolayers (SiGeM) with different elementary proportion x (0<x<1) weresystematically studied for the first-time using ab initio calculations in thiswork. The structural stabilities of the Si1-xGexM with different symmetrieswere investigated using phonon spectra, and an infinite miscibility between Siand Ge elements were revealed in the 2D honeycomb structures. The simulatedscanning tunneling microscope images and Raman and infrared active modes of theSi1-xGexM were then obtained for structural characterizations. Interestingly,the study of electronic properties revealed not previously reported oscillatorynonlinear dependence of band gap values on the elementary proportion x in theSi1-xGexM, which suggests an alternative way for tuning the band gaps of 2Dmaterials. Additionally, low effective masses (0.008m0 ~ 0.021m0) of thecarriers in the semiconducting Si1-xGexM were found, which has potentials forhigh-speed applications. Considering the advantage of their compatibility withcurrent Si-based technology and the trend of miniature of electronic devices,the Si1-xGexM with stable structures and excellent properties would beimportant for 2D applications based on group IV materials.

Two-Dimensional Si-Ge Monolayers: Stabilities, Structures and Electronic Properties