Valence electron structures dependences of structural stability and properties of REX3(RE=rare earth; X=In, Tl) and RE(In, Co)3 alloys

doi:10.1088/1674-1056/ad7575

Abstract Intermetallic compounds $RE$In$_{3}$ ($RE={\rm rare}$ earth) have attracted much attention due to their unique characteristics: crystal field effect, Kondo effect, superconductivity, heavy fermion, and antiferromagnetism, and their cobalt diluted alloys exhibit the ferromagnetic half-metallic characteristics at room temperature. In this study, an empirical electron theory (EET) is employed to investigate systemically the valence electronic structure, the thermal and magnetic properties of $REX_{3}$ and their cobalt diluted alloys for revealing the mechanism of physical properties. The calculated bond length, melting point, and magnetic moment match the experimental ones very well. The study reveals that structural stability and physical properties of $REX_{3}$ and their cobalt dilute alloys are strongly related to their valence electron structures. It is suggested that the structural stability and cohesive energy depend upon the covalent electron, the melting point is modulated by covalent electron pair, and the magnetic moment is originated from 3d magnetic electron. The ferromagnetic characteristics of Co-diluted $RE$In$_{3}$ alloys is originated from the introduction of strong ferromagnetic Co atom, but, a competition is caused between the electron transition from valence electron to magnetic electron on d orbit and its reversal electron transformation with increasing the content of cobalt, which results in the formations of diluted magnetic Gd(In,Co)$_{3}$ alloy with minor amount of cobalt and strong magnetic Nd(In,Co)$_{3}$ alloy with doping more Co atoms.

Keywords: $REX_{3}$ cobalt dilute alloy valence electron structures empirical electron theory moment

Received: 15 May 2024
Revised: 20 August 2024
Accepted manuscript online: 30 August 2024

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:

Boyang Li(李博洋), Yongquan Guo(郭永权), Yi-Chen Feng(冯奕晨), Xinze Wang(王鑫泽), and Wei Liu(刘葳) Valence electron structures dependences of structural stability and properties of REX₃(RE=rare earth; X=In, Tl) and RE(In, Co)₃ alloys 2024 Chin. Phys. B 33 116102

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Valence electron structures dependences of structural stability and properties of REX₃(RE=rare earth; X=In, Tl) and RE(In, Co)₃ alloys

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