Electronic Structure and Cohesive Properties of Metastable Phase Ni_3Mo

スポンサーリンク

概要

• 論文の詳細を見る

• The electronic structures and cohesive properties of the LX) and DO3g structures of themetastable Ni3lVIo crystalline phase have been studied using the first-principles linear muffin-tinorbital method. The total energy of this metastable crystalline phase is calculated as a functionof the Wigner-Seitz radius. The predicted structure is in agreement with that observed exper-imentally and the calculated eqtrilibritrm lattice parameter agrees well with the experimentalvalue. The electronic structure is used to determine the relative stability of different strttctures.

• 社団法人日本物理学会の論文
• 1996-09-15

著者

• Huang X.y.

  Department Of Materials Science And Engineering Tsinghua University

• PAN J.S.

  Department of Materials Science and Engineering,Tsinghua University

• FAN Y.D.

  Department of Materials Science and Engineering,Tsinghua University

• Pan J.s.

  Department Of Materials Science And Engineering Tsinghua University

• Fan Y.d.

  Department Of Materials Science And Engineering Tsinghua University

関連論文

• Calculation of the hcp Ni_Mo_ Metastable Crystalline Phase by Discrete Variational Xα Method
• Electronic Structure and Cohesive Properties of Metastable Phase Ni_3Mo

スポンサーリンク