A1 Journal article (refereed)
Ferromagnetic kinetic exchange interaction in magnetic insulators (2020)

Huang, Z., Liu, D., Mansikkamäki, A., Vieru, V., Iwahara, N., & Chibotaru, L. F. (2020). Ferromagnetic kinetic exchange interaction in magnetic insulators. Physical Review Research, 2(3), Article 033430. https://doi.org/10.1103/PhysRevResearch.2.033430

JYU authors or editors

Publication details

All authors or editors: Huang, Zhishuo; Liu, Dan; Mansikkamäki, Akseli; Vieru, Veacheslav; Iwahara, Naoya; Chibotaru, Liviu F.

Journal or series: Physical Review Research

eISSN: 2643-1564

Publication year: 2020

Publication date: 16/09/2020

Volume: 2

Issue number: 3

Article number: 033430

Publisher: American Physical Society (APS)

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1103/PhysRevResearch.2.033430

Publication open access: Openly available

Publication channel open access: Open Access channel

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/74503

Abstract

The superexchange theory predicts dominant antiferromagnetic kinetic interaction when the orbitals accommodating magnetic electrons are covalently bonded through diamagnetic bridging atoms or groups. Here we show that explicit consideration of magnetic and (leading) bridging orbitals, together with the electron transfer between the former, reveals a strong ferromagnetic kinetic exchange contribution. First-principles calculations show that it is comparable in strength with antiferromagnetic superexchange in a number of magnetic materials with diamagnetic metal bridges. In particular, it is responsible for a very large ferromagnetic coupling (−10 meV) between the iron ions in a Fe3+-Co3+-Fe3+ complex. Furthermore, we find that the ferromagnetic exchange interaction turns into antiferromagnetic by substituting the diamagnetic bridge with magnetic one. The phenomenology is observed in two series of materials, supporting the significance of the ferromagnetic kinetic exchange mechanism.

Keywords: electrons; magnetic properties; magnetic fields; theories

Free keywords: magnetic coupling; magnetic insulators; density functional theory; Wannier function methods

Contributing organizations

Ministry reporting: Yes

VIRTA submission year: 2020

JUFO rating: 1