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Theory and simulations of critical temperatures in CrI3 and other 2D materials: easy-axis magnetic order and easy-plane Kosterlitz–Thouless transitions

Published online by Cambridge University Press:  12 September 2019

Thomas Olsen Open the ORCID record for Thomas Olsen [Opens in a new window]
Thomas Olsen*
Affiliation:
Computational Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark, 2800 Kgs, Lyngby, Denmark
*
Address all correspondence to Thomas Olsen at [email protected]
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Abstract

The recent observations of ferromagnetic order in several two-dimensional (2D) materials have generated an enormous interest in the physical mechanisms underlying 2D magnetism. In the present Prospective Article, we show that Density Functional Theory combined with either classical Monte Carlo simulations or renormalized spin-wave theory can predict Curie temperatures for ferromagnetic insulators that are in quantitative agreement with experiments. The case of materials with in-plane anisotropy is then discussed, and it is argued that finite size effects may lead to observable magnetic order in macroscopic samples even if long range magnetic order is forbidden by the Mermin–Wagner theorem.

Type
Prospective Articles
Information
MRS Communications , Volume 9 , Issue 4 , December 2019 , pp. 1142 - 1150
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Copyright
Copyright © Materials Research Society 2019

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