6533b854fe1ef96bd12af503
RESEARCH PRODUCT
Modeling the properties of uranium-based single ion magnets
Juan M. Clemente-juanSalvador Cardona‐serraAlejandro Gaita-ariñoJosé J. BaldovíEugenio Coronadosubject
Field (physics)010405 organic chemistryAnalytical chemistrychemistry.chemical_elementGeneral ChemistryUranium010402 general chemistry01 natural sciencesNanomagnet0104 chemical sciencesComputational physicsCrystalchemistryQubitMagnetWave functionSpin-½description
We analyze the magnetic behavior of the five uranium-based SIMs reported in the literature. By combining a corrected crystal field model with the magnetic experimental data, we obtain the lowest-lying magnetic levels and the associated wave functions of the nanomagnets, which are found to be compatible with the observed SMM behavior. Additionally, this approach has allowed us to propose some geometrical considerations and practical advice for experimentalists aiming for the rational design of SIMs and spin qubits based on uranium.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2013-01-01 | Chem. Sci. |