Characterizing magnesiumesilicon binaries in AleMgeSi supersaturated solid solution by first-principles calculations

Magnesium silicide Mg2Si is a well-studied binary of Mg and Si due to its potential technological applications like infrared photonic and thermoelectric. This paper aims to unveil some structural, electronic, and vibrational properties of Mg9Si5 and Mg5Si6, providing some information that may be useful for further possible investigations on the AleMgeSi solid solution.