Magnetic anisotropy of 4f atoms on a WSe2 monolayer: a DFT + U study

Abstract Inspired by recent advancements in the field of single-atom magnets, particularly those involving rare-earth (RE) elements, we present a theoretical exploration employing DFT+U calculations to investigate the magnetic properties of selected 4f atoms, specifically Eu, Gd, and Ho, on a monola...

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Bibliographic Details
Main Authors: Johanna P. Carbone, Gustav Bihlmayer, Stefan Blügel
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01502-4
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