Occupation preferences and impacts of interstitial H, C, N, and O on magnetism and phase stability of Ni2MnGa magnetic shape memory alloys by first-principles calculations
Abstract:Microalloying by introducing small atoms into the interstitial sites of crystal represents an important strategy in composition design, usually enabling a leap in material performance under a tiny doping concentration. However, for the Ni–Mn-based magnetic shape memory alloys, plenty of critical scientific issues related to interstitial alloying remains ambiguous. In this work, by first-principles calculations, the occupation preferences, and the impacts and the underlying mechanisms of H, C, N, and O on magne… Show more
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