Impurity-impurity interaction during the growth of UMG-Si-based mc-Si

This article investigates the relationship between the chemical composition and electrophysical properties of p- and n-type multicrystalline silicon ingots based on metallurgical silicon with a purity of 99.99 at.%. In particular, the role of impurity-impurity interactions in the production of multisilicon by the Bridgman vertical method is evaluated in order to identify approaches to controlling this process effectively. The phase equilibrium calculations in the “silicon–all impurities” and “silicon-impurity-oxygen” systems were carried out based on the Gibbs energy minimization in the Selector software package. The study investigates the rank correlations of the concentrations of various impurities with each other, as well as with the specified electrical resistivity (SER) and the lifetime of nonequilibrium charge carriers (NCC) in the direction of crystal growth. Pair correlations of the element distribution profiles were considered based on the role of the main factor represented by the ratio of individual impurity solubilities in solid or liquid silicon (k0), as well as from the standpoint of direct interaction between two elements. It was found that the k0 value for two individual impurities in silicon does not automatically lead to the pair correlation of their distribution profiles in the ingot. A significant effect on the distribution profiles of impurities in multisilicon with k0→0 has the factor of binding some part of the impurity into such a form that this impurity can be incorporated easily into a growing crystal. Binding may be induced by the interaction of the impurity in the melt with the oxygen background, its segregation at the grain boundaries, and its capture by the crystallization front in the composition of the liquid inclusion. Significant correlations of impurity distribution profiles in the ingot were demonstrated by the pairs whose elements interact without the formation of chemical compounds in the 25–1413 °C temperature range. The conducted phase equilibrium calculations for the “silicon–all impurities” system revealed the possibility of forming the VB2, TiB2, ZrB2, and MgTiO4 solid phases in the melt.