Thermodynamic Analysis of Phase Equilibria in the Mn-Bi-Sb Ternary System

被引：4
|
作者：
Uemitsu, Manami [1 ]
Enoki, Masanori [2 ]
Iikubo, Satoshi [3 ]
Ohtani, Hiroshi [2 ]
机构：
[1] Kyushu Inst Technol, Grad Sch Engn, Kitakyushu, Fukuoka 8048550, Japan
[2] Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan
[3] Kyushu Inst Technol, Grad Sch Life & Syst Engn, Kitakyushu, Fukuoka 8080196, Japan
来源：
JOURNAL OF THE JAPAN INSTITUTE OF METALS AND MATERIALS | 2014年 / 78卷 / 09期
关键词：
nickel arsenide structure; phase equilibria; calculation of phase diagrams (CALPHAD); first-principles calculations; cluster expansion method; TOTAL-ENERGY CALCULATIONS; MAGNETIC-PROPERTIES; ALLOYS; DIAGRAM; MODEL;
D O I：
10.2320/jinstmet.JAW201410
中图分类号：
TF [冶金工业];
学科分类号：
0806 ;
摘要：
A thermodynamic analysis of phase equilibria in the Mn-Bi-Sb ternary system has been carried out with specially focusing on the stability of the ferromagnetic NiAs-type ceMnBi phase by an addition of Sb. In this study, the Gibbs free energy of this phase was evaluated using first-principles calculations combined with the cluster variation method (CVM), and the obtained results as well as the available experimental data on phase boundaries and thermodynamic properties were introduced in the analysis. The calculated results enabled the reproduction of experimental results on both the phase equilibria and thermodynamic properties obtained from first-principles calculations and the CVM. The calculations indicated that the stable region of NiAs-type ceMnBi phase is expanded with increasing Sb content in alloys.
引用
收藏
页码：327 / 336
页数：10
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