Achieving high-temperature ferromagnetism by means of magnetic ions dimerization

Abstract

Magnetic two-dimensional materials have potential application in next-generation electronic devices and have stimulated extensive interest in condensed matter physics and material fields. However, how to realize high-temperature ferromagnetism in two-dimensional materials remains a great challenge in physics. Herein, we propose an effective approach that the dimerization of magnetic ions in two-dimensional materials can enhance the exchange coupling and stabilize the ferromagnetism. Manganese carbonitride Mn${}_2$N${}_6$C${}_6$ with a planar monolayer structure is taken as an example to clarify the method, in which two Mn atoms are gathered together to form a ferromagnetic dimer of Mn atoms and further these dimers are coupled together to form the overall ferromagnetism of the two-dimensional material. In Mn${}_2$N${}_6$C${}_6$ monolayer, the near-room-temperature ferromagnetism with the Curie temperature of 272.3 K is determined by solving Heisenberg model using Monte Carlo simulations method.

arXiv commentJournal of Physical Chemistry C Cite This: https://doi.org/10.1021/acs.jpcc.2c02593

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• A Scheme to fabricate magnetic graphene-like cobalt nitride CoN4monolayer proposed by first-principles calculations