Confirmation of the Nonequilibrium States of AB_3 Type in an Immiscible Y-Ta System by Ab Initio Calculation : Structure and Mechanical and Thermal Properties of Condensed Matter

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概要

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• Employing the Vienna ab initio simulation package (VASP), calculation results predicted that three nonequilibrium phases with D0_<19>, L1_2 and A15 structures were energetically favored to be formed at a stoichiometry of YTa_3 in the equilibrium immiscible Y-Ta system. Experimentally, ion-beam mixing of the YTa_3 multilayers did result in respective hcp and fcc YTa_3 phases, yet failed to obtain an A15 one because of the kinetic constraint. Moreover, the lattice constants of the formed nonequilibrium phases were in good agreement with the calculated values.

• 社団法人応用物理学会の論文
• 2002-01-15

著者

• Liu Bai

  Advanced Materials Laboratory Department Of Materials Science And Engineering Tsinghua University

• Liu Jian

  Advanced Materials Laboratory Department Of Materials Science And Engineering Tsinghua University

関連論文

• Formation of LaSi_ Layers on Si by High-Current La Ion Implantation
• Stability of the Metastable Phases in the Co-Ta System Studied by ab initio and Thermodynamic Calculations Together with Ion-Beam-Mixing Experiment(Condensed Matter : Structure, Mechanical and Thermal Properties)
• Confirmation of the Nonequilibrium States of AB_3 Type in an Immiscible Y-Ta System by Ab Initio Calculation : Structure and Mechanical and Thermal Properties of Condensed Matter
• Formation of LaSi2-x Layers on Si by High-Current La Ion Implantation

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