Correlation-induced magnetism in substrate-supported 2D metal-organic frameworks

نویسندگان

چکیده

Two-dimensional (2D) metal-organic frameworks (MOFs) in a kagome lattice can exhibit strong electron-electron interactions, which lead to tunable quantum phases including many exotic magnetic phases. While technological developments of 2D MOFs typically take advantage substrates for growth, support, and electrical contacts, investigations often ignore their dramatic influence on electronic properties MOFs. Here, we show how alter the correlated using systematic density functional theory mean-field Hubbard calculations. We demonstrate that MOF-substrate coupling, charge transfer, strain, external electric fields are key variables, activating deactivating these materials. consider example kagome-arranged 9,10-dicyanoanthracene molecules coordinated with copper atoms, our findings should generalise any lattice. This work offers useful predictions interaction-induced magnetism surface-supported organic materials, opening door solid-state spintronic technologies based such systems.

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ژورنال

عنوان ژورنال: npj computational materials

سال: 2022

ISSN: ['2057-3960']

DOI: https://doi.org/10.1038/s41524-022-00918-0