Preparation of Ni–Si–B nano-crystalline film and mechanism analysis using first-principle calculations

Abstract

In this work, Ni–Si–B nano-crystalline film was prepared successfully based on supersaturated solid solution method using magnetron sputtering technology. The phase structure of Ni–Si–B nano-crystalline film is composed of Ni (111) phase completely, and the average diameter of Ni grain is 4.77 nm. The high-multiple morphology of the film shows the uniform paste-like structure, which is constituted by a little of pure nickel (Ni) and much of nickel-based solid solution (NiSS). The solid solution of elements Si and B in host Ni can enhance the nano-crystalline degree of the film effectively, and the solid solubility of Si is much larger than that of B, which are c (Si) = 14.6 at.% and c(B) = 0.00124 at.%, respectively. The solid solubility of substitutional solute element Si and interstitial solute element B are both influenced by the bonding contribution and structural contribution simultaneously. For substitutional solute element, the structural contribution and bonding contribution are negative for improving the solid solubility, which are harmful to the formation of nano-crystalline. While for interstitial solute element, although the influence of structural contribution is negative for improving the solid solubility, the bonding contribution plays the positive role, which is conductive to the formation of nano-crystalline.