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Ye et al. J Mater Inf 2023;3:15 Journal of
DOI: 10.20517/jmi.2023.08
Materials Informatics

Research Article Open Access

Assessment of phase equilibria and thermodynamic
properties in the Fe-RE (RE = rare earth metals)

binary systems

3
1
1,2
1
Hongjian Ye , Maohua Rong 1,2,* , Qing Chen , Qingrong Yao , Jiang Wang 1,2,* , Guanghui Rao , Huaiying
Zhou 1,2
1
School of Materials Science and Engineering & Guangxi Key Laboratory of Information Materials, Guilin University of Electronic
Technology, Guilin 541004, Guangxi, China.
2
Engineering Research Center of Electronic Information Materials and Devices, Ministry of Education, Guilin University of
Electronic Technology, Guilin, Guangxi, China.
3
Thermo-Calc Software AB, Solna SE-16967, Sweden.
* Correspondence to: Dr. Maohua Rong, Prof. Jiang Wang, School of Materials Science and Engineering & Guangxi Key Laboratory
of Information Materials, Guilin University of Electronic Technology, Jinji Road No. 1, Guilin 541004, Guangxi, China. E-mail:
rongmh124@guet.edu.cn; waj124@guet.edu.cn
How to cite this article: Ye H, Rong M, Chen Q, Yao Q, Wang J, Rao G, Zhou H. Assessment of phase equilibria and
thermodynamic properties in the Fe-RE (RE = rare earth metals) binary systems. J Mater Inf 2023;3:15.
https://dx.doi.org/10.20517/jmi.2023.08

Received: 1 Mar 2023 First Decision: 15 May 2023 Revised: 3 Jun 2023 Accepted: 14 Jun 2023 Published: 12 Jul 2023

Academic Editors: William Yi Wang, Xingjun Liu Copy Editor: Dong-Li Li Production Editor: Dong-Li Li

Abstract
This study focuses on investigating phase equilibria and thermodynamic stability of intermetallic compounds made
of the transition metal Fe and rare earth (RE) elements. By using the CALPHAD method and reliable experimental
information from the literature, the binary systems of Fe-Y, Fe-Er, and Fe-Lu were reassessed. To improve our
previous calculations of Fe-RE (RE = Tb and Dy) binary systems, the Gibbs energy expressions of intermetallic
compounds Fe Tb and Fe Dy were modified to avoid artificial breaks in their heat capacity curves. Thermodynamic
2 2
parameters obtained are self-consistent, and the Gibbs energies of the Fe-RE (RE = Tb, Dy, Er, Lu, and Y) phases
were accurately expressed to reappear available both thermodynamic data and phase equilibria. This work was
further combined with the previous calculations of the Fe-RE (RE = La, Ce, Pr, Nd, Sm, Gd, Ho, and Tm) systems to
discuss thermodynamic characteristics and phase equilibria of Fe-RE binary systems in detail. A trend was noticed
for the change of thermodynamic properties and phase equilibria of the Fe-RE binary systems with RE atomic
number. Generally, as the RE atomic number increases, the formation temperatures of the Fe-RE intermetallic
compounds increase gradually, and the enthalpy of mixing of liquid Fe-RE (apart from Fe-Y and Fe-Ce) alloys and

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