Thermodynamic Stability of Mg-Based Laves Phases

DOI 機関リポジトリ HANDLE Web Site Web Site 被引用文献2件 参考文献28件
  • Kawano Shoya
    Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology
  • Iikubo Satoshi
    Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology
  • Ohtani Hiroshi
    Institute of Multidisciplinary Research for Advanced Materials, Tohoku University

この論文をさがす

抄録

<p>To investigate the stability of various Mg-based Laves phases, the formation enthalpy and phonon dispersion were obtained by first-principles calculation. The calculated formation enthalpy and phonon dispersion indicate that MgX2 (X = Al, Co, Ni, Cu, Zn) and Mg2X (X = Ca, Sr, Y, Ba, La) are stable both statically and dynamically. These results are consistent with the experimental results except for MgAl2 and Mg2La. These compounds are considered to be in a metastable state in each binary system. We also used the cluster expansion method to examine the possibility of adding a third element to MgZn2. Our theoretical investigations suggest attractive interaction between Zn and a third element such as Ag, Ca, and Zr in the MgZn2 lattice. However, Ca and Zr replace a small amount of Zn in MgZn2 owing to the instability of MgCa2 and MgZr2, in agreement with the experimental result. Furthermore, it is suggested that Zr becomes stable at the Mg site in the MgZn2 lattice owing to the stability of ZrZn2.</p>

収録刊行物

  • MATERIALS TRANSACTIONS

    MATERIALS TRANSACTIONS 59 (6), 890-896, 2018-06-01

    公益社団法人 日本金属学会

被引用文献 (2)*注記

もっと見る

参考文献 (28)*注記

もっと見る

キーワード

詳細情報 詳細情報について

問題の指摘

ページトップへ