Molecular magnets in nanoscopic quantum devices: theory & experimental comparisons
Quantum devices are quickly becoming the centrepiece of a novel generation of technological systems that could affect every aspect of our life, though we still do not understand how we may effectively interface molecular materials with nanoscopic quantum devices and control them. My aim in this thes...
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| Інші автори: | |
| Формат: | Дисертація |
| Мова: | English |
| Опубліковано: |
2023
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| _version_ | 1826313025369407488 |
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| author | Tsang, M-Y |
| author2 | Bogani, L |
| author_facet | Bogani, L Tsang, M-Y |
| author_sort | Tsang, M-Y |
| collection | OXFORD |
| description | Quantum devices are quickly becoming the centrepiece of a novel generation of technological systems that could affect every aspect of our life, though we still do not understand how we may effectively interface molecular materials with nanoscopic quantum devices and control them. My aim in this thesis is to start exploring these issues, combining numerical and analytical theoretical methods to allow researchers to explore the properties of various molecular magnets, and predict and understand their behaviour when they are integrated into nanoscopic quantum devices. Maintaining a strong connection to real examples by considering specific molecular magnets, I cross-check the results with various characterisation techniques. I also consider commercially available molecular compounds and their possible practical use in actual quantum devices. In doing so, I also present and develop new methods of data analysis, to extend the information that can be extracted from experiments; throughout, I compare theory and experiments, corroborating the results. First, I mostly consider various compounds based on rare-earth metals, and deal with the challenges linked to numerically modelling the spin anisotropy of these systems. I demonstrate how careful treatment of the data can find the molecular anisotropy axes even in systems with high crystal symmetry. Moreover, I show how various methods allow us to predict the behaviour of single-molecule spin devices. Second, to investigate how the second-quantisation formalism impinges on the magnetisation’s macroscopic dynamics, I consider a wellknown, model spin system, Mn12-acetate, and then explore in theory how we might expect a strongly coupled system to behave. Third and finally, I consider the theory of strongly coupled gadolinium-based systems, finding good agreement between experimental results and first-principles calculations, and explore what such systems could make possible for the future of
quantum devices. |
| first_indexed | 2024-03-07T08:04:23Z |
| format | Thesis |
| id | oxford-uuid:f4b94d47-1d67-493b-884b-5d06299eacd0 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-09-25T04:06:10Z |
| publishDate | 2023 |
| record_format | dspace |
| spelling | oxford-uuid:f4b94d47-1d67-493b-884b-5d06299eacd02024-05-20T07:14:44ZMolecular magnets in nanoscopic quantum devices: theory & experimental comparisonsThesishttp://purl.org/coar/resource_type/c_db06uuid:f4b94d47-1d67-493b-884b-5d06299eacd0EnglishHyrax Deposit2023Tsang, M-YBogani, LSmith, JTotti, FQuantum devices are quickly becoming the centrepiece of a novel generation of technological systems that could affect every aspect of our life, though we still do not understand how we may effectively interface molecular materials with nanoscopic quantum devices and control them. My aim in this thesis is to start exploring these issues, combining numerical and analytical theoretical methods to allow researchers to explore the properties of various molecular magnets, and predict and understand their behaviour when they are integrated into nanoscopic quantum devices. Maintaining a strong connection to real examples by considering specific molecular magnets, I cross-check the results with various characterisation techniques. I also consider commercially available molecular compounds and their possible practical use in actual quantum devices. In doing so, I also present and develop new methods of data analysis, to extend the information that can be extracted from experiments; throughout, I compare theory and experiments, corroborating the results. First, I mostly consider various compounds based on rare-earth metals, and deal with the challenges linked to numerically modelling the spin anisotropy of these systems. I demonstrate how careful treatment of the data can find the molecular anisotropy axes even in systems with high crystal symmetry. Moreover, I show how various methods allow us to predict the behaviour of single-molecule spin devices. Second, to investigate how the second-quantisation formalism impinges on the magnetisation’s macroscopic dynamics, I consider a wellknown, model spin system, Mn12-acetate, and then explore in theory how we might expect a strongly coupled system to behave. Third and finally, I consider the theory of strongly coupled gadolinium-based systems, finding good agreement between experimental results and first-principles calculations, and explore what such systems could make possible for the future of quantum devices. |
| spellingShingle | Tsang, M-Y Molecular magnets in nanoscopic quantum devices: theory & experimental comparisons |
| title | Molecular magnets in nanoscopic quantum devices: theory & experimental comparisons |
| title_full | Molecular magnets in nanoscopic quantum devices: theory & experimental comparisons |
| title_fullStr | Molecular magnets in nanoscopic quantum devices: theory & experimental comparisons |
| title_full_unstemmed | Molecular magnets in nanoscopic quantum devices: theory & experimental comparisons |
| title_short | Molecular magnets in nanoscopic quantum devices: theory & experimental comparisons |
| title_sort | molecular magnets in nanoscopic quantum devices theory experimental comparisons |
| work_keys_str_mv | AT tsangmy molecularmagnetsinnanoscopicquantumdevicestheoryexperimentalcomparisons |