Experimental and theoretical study of silicon-doped Sb2Te3 thin films: Structure and phase stability

The influence of Si in Sb2Te3 on structure and phase stability was studied by experiments and ab initio calculations. With the increase of Si content in Sb2Te3 samples, the crystallization temperature increases and the crystalline grain size decreases. The incorporation of Si atoms into Sb2Te3 lattice is energetically unfavorable and hence Si atoms most probably accumulated in the boundaries of Sb2Te3 grains.