Mean-field approximation model for multiferroicity and magnetoelectric coupling effects in polar magnet Co2Mo3O8
Year: 2025
Type: article
Abstract: In recent years, polar magnets M2Mo3O8 (M: 3d transition metal) have emerged as a research focus in condensed matter physics and materials science due to their unique crystal structures, multiple continuous magnetoelectric-coupled state transitions, and potential applications. Notably, Co2Mo3O8 exhibits a significant second-order nonlinear magnetoelectric coupling effect in its ground state, corresponding to a unique microscopic magnetoelectric coupling mechanism and practical value. In this work, based on a molecular field phenomenological model, two distinct antiferromagnetic sublattices for the Co2Mo3O8 system constructed and the temperature-dependent variations of its spontaneous magnetic moment, spin-induced ferroelectric polarization, first-order linear magnetoelectric coupling coefficient, and second-order nonlinear magnetoelectric coupling coefficient are presented. Particularly, the parameters t = –1 and o = –0.96 indicate distinct exchange energies between the magnetic sublattices associated with tetrahedron (Cot) and octahedron (Coo). The Co2+ ions in these two sublattices, which are characterized by different molecular field coefficients, synergistically mediate a spin-induced spontaneous polarization of PS ~ 0.12 μC/cm2 through the exchange striction mechanism and p-d hybridization mechanism in Co2Mo3O8. In addition, the significant second-order magnetoelectric coupling effect with a coefficient peaking at 7 × 10–18 s/A near the TN in Co2Mo3O8, with this coefficient being significantly larger than those of isostructural Fe2Mo3O8 (1.81 × 10–28 s/A) and Mn2Mo3O8, implies that this enhancement primarily arises from the weaker inter-sublattice antiferromagnetic exchange between its two sublattices, leading to a stabilizes metastable spin configuration. This also indicates that the Co2Mo3O8 system possesses stronger irreversibility stability and exhibits a pronounced magnetoelectric diode effect, providing a solid theoretical and computational foundation for developing magnetoelectric diodes.
Source: Acta Physica Sinica
Authors: Yongsen TANG, Hanyan WANG, Bing YU, Xing’ao LI
Language: English
Field: Materials Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4412680155