Thermal stability and crystallization of amorphous Si 1−xB x, Si 1−xP x and Si 1−xSb x alloy thin films

Abstract

The thermal stability and crystallization of the amorphous Si 1−xP x, Si 1−xB x and Si 1−xSb x alloy systems have been studied by X-ray diffraction (XRD) and high resolution transmission electron microscopy (HRTEM). It was found that the amorphous Si-P and Si-B alloys have a high thermal stability and crystallize at temperatures as high as 1150°C, whereas amorphous Si-Sb alloys are unstable and crystallize already at 350°C. The thermal stability is explained by strong Si-P and Si-B bonds, whilst the instability is explained by the weakening of Si-Si bonds by the presence of Sb atoms (< 17 at.% Sb) and by weak Si-Sb and Sb-Sb bonds (> 17 at.% Sb). The thermal stability and instability of the amorphous alloys were correctly predicted from calculated Gibbs free energy diagrams (GFED). The calculated GFED were also used together with the observed crystallization temperatures to successfully predict the first crystalline phase to form in the Si-P and Si-B systems. The first crystalline phases that formed were Si (< 40 at.% B and < 30 at.% P), a newly reported phosphide, Si 12P 5 (30 at.% P), and SiP (> 30 at.% P).