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We report the investigation of the structural stability ofCo$_{(1-x)}$Ni$_x$Si monosilicides for $0<x<1$. As CoSi crystallizes in theFeSi-type structure (B20) and NiSi is stable in the MnP-type structure (B31), acomplete set of samples has been synthesized and a systematic study of phaseformation under different annealing conditions were carried out in order tounderstand the reason of such a structural transition when x goes from 0 to 1.This study has revealed a limit in the solubility of Ni in CoSi B20 structureof about 17.5 at.% and of Co in NiSi B31 phase of about 13 at.%. For$0.35<x<0.74$ both B20 and B31 phases are present in the sample at thererespective limits of solubility. The temperature dependence of the magneticsusceptibility has also been measured revealing diamagnetic behaviors. Optimalstructural parameters and phase stability of the solid solution have beeninvestigated using self-consistent full-potential linearized augmented planewave method (FP-LAPW) based on the density functional theory (DFT). Thiscalculation well predicts the structural instability observed experimentally.

Experimental and First principle calculation of Co_xNi_{(1-x)}Si solid solution structural stability