Summary
Single Molecule Magnets (SMMs) that retain magnetisation in the absence of a magnetic field represent the smallest conceivable information storage devices. However, the interaction between spin and phonons, i.e. spin-phonon coupling, strongly limits their working temperature, hindering the realization in fully-functioning devices. Recent studies have shown that spin-phonon coupling can be mitigated by employing high symmetry and strong exchange coupling, but a clear rationale of how spin relaxation is affected by this chemical strategy is not yet fully understod. In this project we will employ state-of-the-art computational methods to unravel the physics of spin-phonon relaxation of one mononuclear pseudo D4h and one exchange coupled mixed valence Dy(III) complexes and show the way forward towards a rational design of high-temperature SMMs. We will develop a fully ab initio strategy to predict the role of vibrational modes on magnetisation relaxation with the ultimate goal of providing new design principles for potential SMMs with quenched spin-phonon coupling interaction. However, for the potential application of SMMs in the nearest future one need to study surfaces and their interactions with SMMs. Indeed, the pathway of SMM-based devices is made of numerous steps among which the adsorption on the surface is the first and crucial one. Previous studies indicated that the several high performances SMMs lose their magnetic characterictics upon adsorbtion to the surface. In this project, we will deposit the SMMs on the surfaces on the 2D materials such as graphene, FePS3 and CrSBr and will analyze the structure, magnetic properties and spin-phonon coupling of the adsorbed complexes. The excellent deformation capacity of the 2D materials results in potential application in low cost electronics. Finally the interplay of spin-phonon coupling between molecule and 2D materials will be unveiled as this will offer as route to the 'heaven' of molecular spintronics.
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| Web resources: | https://cordis.europa.eu/project/id/101107713 |
| Start date: | 01-04-2023 |
| End date: | 31-03-2025 |
| Total budget - Public funding: | - 165 312,00 Euro |
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Original description
Single Molecule Magnets (SMMs) that retain magnetisation in the absence of a magnetic field represent the smallest conceivable information storage devices. However, the interaction between spin and phonons, i.e. spin-phonon coupling, strongly limits their working temperature, hindering the realization in fully-functioning devices. Recent studies have shown that spin-phonon coupling can be mitigated by employing high symmetry and strong exchange coupling, but a clear rationale of how spin relaxation is affected by this chemical strategy is not yet fully understod. In this project we will employ state-of-the-art computational methods to unravel the physics of spin-phonon relaxation of one mononuclear pseudo D4h and one exchange coupled mixed valence Dy(III) complexes and show the way forward towards a rational design of high-temperature SMMs. We will develop a fully ab initio strategy to predict the role of vibrational modes on magnetisation relaxation with the ultimate goal of providing new design principles for potential SMMs with quenched spin-phonon coupling interaction. However, for the potential application of SMMs in the nearest future one need to study surfaces and their interactions with SMMs. Indeed, the pathway of SMM-based devices is made of numerous steps among which the adsorption on the surface is the first and crucial one. Previous studies indicated that the several high performances SMMs lose their magnetic characterictics upon adsorbtion to the surface. In this project, we will deposit the SMMs on the surfaces on the 2D materials such as graphene, FePS3 and CrSBr and will analyze the structure, magnetic properties and spin-phonon coupling of the adsorbed complexes. The excellent deformation capacity of the 2D materials results in potential application in low cost electronics. Finally the interplay of spin-phonon coupling between molecule and 2D materials will be unveiled as this will offer as route to the 'heaven' of molecular spintronics.Status
SIGNEDCall topic
HORIZON-MSCA-2022-PF-01-01Update Date
31-07-2023
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