The magnetic anisotropy energy of 13-atom Fe-Pt, Co-Pt and Ni-Pt clusters

Abstract

The spin-orbital coupling (SOC) effect and magnetic anisotropy energy (MAE) of 13-atom Fe-Pt, Co-Pt and Ni-Pt clusters were investigated by density functional theory. The result shows that the Fe-Pt system has a higher MAE than Co-Pt and Ni-Pt. In the Fe₈Pt₅ cluster, the main contribution of MAE comes from SOC interaction between d orbitals around the Fermi level in Pt atoms. The giant positive MAE is mainly due to the SOC interaction between the majority spin states of ${\text{d}}_{x^2}$ and ${\text{d}}_{xy}$ orbitals.

GRAPHICAL ABSTRACT

KEYWORDS:

• 13-atom clusters
• ferromagnetic metals
• magnetic anisotropy energy
• spin-orbital coupling

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This work is supported by the [Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi] under Grant [number: 2021L354], [Ph. D. Program Foundation of Changzhi Medical College] under Grant [number: BS202109], and [Applied Basic Research Program of Shanxi Province] under Grant [number: 202303021211109]. The authors report there are no competing interests to declare.