First-principles calculations of structural, mechanical and electronic properties of TiNi-X (X=C, Si, Ge, Sn, Pb) alloys

作者: Dan Hong , Wei Zeng , Zhao Xin , Fu-Sheng Liu , Bin Tang

DOI: 10.1142/S0217979219501674

关键词: Materials scienceDensity functional theoryThermodynamicsTernary operationElectronic properties

摘要: We adopted the first-principles calculations within density functional theory (DFT) to investigate structures, elastic, and electronic properties of ternary TiNi-X alloys with different four ma...

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