Correlation between valence electronic structure and magnetic properties in RCo5 (R= rare earth) intermetallic compound

doi:10.1088/1674-1056/25/6/063101

Abstract

The magnetisms of RCo₅ (R=rare earth) intermetallics are systematically studied with the empirical electron theory of solids and molecules (EET). The theoretical moments and Curie temperatures agree well with experimental ones. The calculated results show strong correlations between the valence electronic structure and the magnetic properties in RCo₅ intermetallic compounds. The moments of RCo₅ intermetallics originate mainly from the 3d electrons of Co atoms and 4f electrons of rare earth, and the s electrons also affect the magnetic moments by the hybridization of d and s electrons. It is found that moment of Co atom at 2c site is higher than that at 3g site due to the fact that the bonding effect between R and Co is associated with an electron transformation from 3d electrons into covalence electrons. In the heavy rare-earth-based RCo₅ intermetallics, the contribution to magnetic moment originates from the 3d and 4f electrons. The covalence electrons and lattice electrons also affect the Curie temperature, which is proportional to the average moment along the various bonds.

Keywords: EET theory electronic structure Curie temperature RCo₅ intermetallics

Received: 26 October 2015
Revised: 03 March 2016
Accepted manuscript online:

PACS:	31.10.+z	(Theory of electronic structure, electronic transitions, and chemical binding)
	31.30.-i	(Corrections to electronic structure)

Fund:

Project supported by the National Natural Science Foundation of China (Grant No. 11274110).

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

Cite this article:

Zhi-Qin Xue(薛智琴), Yong-Quan Guo(郭永权) Correlation between valence electronic structure and magnetic properties in RCo₅ (R= rare earth) intermetallic compound 2016 Chin. Phys. B 25 063101

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Correlation between valence electronic structure and magnetic properties in RCo5 (R= rare earth) intermetallic compound

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Correlation between valence electronic structure and magnetic properties in RCo₅ (R= rare earth) intermetallic compound