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The family of cubic polyoxopalladates encapsulating lanthanide ions [LnPd12(AsPh)8O32]5− where Ln = Tb, Dy, Ho, Er and Tm, is magnetically characterised and theoretically described by the Radial Effective Charge (REC) model and a phenomenological crystal-field approach using the full-hamiltonian, in the SIMPRE and CONDON packages respectively. The lack of anisotropy generates an extraordinarily rich energy level structure at low temperatures, which allows us to study how such a structure is affected by lifting the strict cubic symmetry and/or by applying an external magnetic field. In particular, we will explore the possibility of using these cubic Ln complexes as spin-qubits. We will focus on the Ho derivative. We find that it is possible to reach a regime where decoherence caused by the nuclear spin bath is quenched for moderate axial compression of the cube and small magnetic fields.

Molecular spin qubits based on lanthanide ions encapsulated in cubic polyoxopalladates: design criteria to enhance quantum coherence