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A multiferroic mole...
A multiferroic molecular magnetic qubit
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- Johnson, Alexander I. (författare)
- Cent Michigan Univ, USA
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- Islam, Fhokrul (författare)
- Linnéuniversitetet,Institutionen för fysik och elektroteknik (IFE)
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- Canali, Carlo M. (författare)
- Linnéuniversitetet,Institutionen för fysik och elektroteknik (IFE),Avancerade material
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- Pederson, Mark R. (författare)
- Univ Texas El Paso, USA
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(creator_code:org_t)
- American Institute of Physics (AIP), 2019
- 2019
- Engelska.
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Ingår i: Journal of Chemical Physics. - : American Institute of Physics (AIP). - 0021-9606 .- 1089-7690. ; 151:17, s. 1-7
- Relaterad länk:
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http://arxiv.org/pdf...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- The chiral Fe3O(NC5H5)3(O2CC6H5)6 molecular cation, with C-3 symmetry, is composed of three six-fold coordinated spin-carrying Fe3+ cations that form a perfect equilateral triangle. Experimental reports demonstrating the spin-electric effect in this system also identify the presence of a magnetic uniaxis and suggest that this molecule may be a good candidate for an externally controllable molecular qubit. Here, we demonstrate, using standard density-functional methods, that the spin-electric behavior of this molecule could be even more interesting as there are energetically competitive reference states associated with both high and low local spins (S = 5/2 vs S = 1/2) on the Fe3+ ions. Each of these structures allow for spin-electric ground states. We find that qualitative differences in the broadening of the Fe(2s) and O(1s) core levels, shifts in the core-level energies, and the magnetic signatures of the single-spin anisotropy Hamiltonian may be used to confirm whether a transition between a high-spin manifold and a low spin manifold occurs.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- Physics
- Fysik
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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