Structural stability and magnetic properties of disordered SmCo7-xMx (M=metal) modulated by valence electron structure

doi:10.1088/1674-1056/ae1729

Abstract SmCo$_{7-x}M_{x}$ ($M={\rm Cu}$, Zr, Hf, Si, Ga) intermetallic compounds, with distinctive disordered crystal structure and excellent magnetic performance, are of great importance for application as high-temperature rare-earth permanent magnets. In this study, the relationship between the valence electronic structure, structural stability and magnetic and thermal properties of Sm(Co, $M$)$_{7}$ intermetallic compounds is revealed by using an empirical electron theory of solids and molecules. The structural stability is strongly related to the valence electronic structure that is modulated by doping the third element $M$ into SmCo$_{7}$. The calculated bond lengths, magnetic moments and Curie temperatures show good agreement with experimental ones. The magnetic moment and Curie temperature strongly depend on the number of 3d magnetic electrons, and can be modulated by mutual electron transformation between 3d magnetic electron and covalence electron.

Keywords: Sm (Co,$M$)$_7$pseudo-binary intermetallics valence electron structure structural stability magnetic property

Received: 26 August 2025
Revised: 08 October 2025
Accepted manuscript online: 24 October 2025

PACS:	61.50.Lt	(Crystal binding; cohesive energy)
	75.50.-y	(Studies of specific magnetic materials)
	78.40.Kc	(Metals, semimetals, and alloys)
	31.10.+z	(Theory of electronic structure, electronic transitions, and chemical binding)

Corresponding Authors: Yongquan Guo
E-mail: yqguo@ncepu.edu.cn

Cite this article:

Wei Liu(刘葳), Yongquan Guo(郭永权), Boyang Li(李博洋), Yu Yao(姚羽), Haitao Kong(孔海涛), and Yichen Feng(冯奕晨) Structural stability and magnetic properties of disordered SmCo_7-xM_x (M=metal) modulated by valence electron structure 2026 Chin. Phys. B 35 056104

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Structural stability and magnetic properties of disordered SmCo7-xMx (M=metal) modulated by valence electron structure

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Structural stability and magnetic properties of disordered SmCo_7-xM_x (M=metal) modulated by valence electron structure