Title: Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation
Authors: Pedersen, Kasper S ×
Ungur, Liviu
Sigrist, Marc
Sundt, Alexander
Schau-Magnussen, Magnus
Vieru, Veaceslav
Mutka, Hannu
Rols, Stephane
Weihe, Hogni
Waldmann, Oliver
Chibotaru, Liviu
Bendix, Jesper
Dreiser, Jan #
Issue Date: 2014
Series Title: CHEMICAL SCIENCE vol:5 issue:4 pages:1650-1660
Abstract: We study the ligand-field splittings and magnetic properties of three ErIII single-ion magnets which differ in the peripheral ligand sphere but exhibit similar first coordination spheres by inelastic neutron scattering (INS) and SQUID magnetometry. The INS spectra of the three compounds are profoundly different pointing at a strong response of the magnetic behavior to minor structural changes, as they are e.g. encountered when depositing molecules on surfaces. The observation of several magnetic excitations within the J = 15/2 ground multiplet together with single-crystal magnetic measurements allows for the extraction of the sign and magnitude of all symmetry-allowed Stevens parameters. The parameter values and the energy spectrum derived from INS are compared to the results of state-of-the-art ab initio CASSCF calculations. Temperature-dependent alternating current (ac) susceptibility measurements suggest that the magnetisation relaxation in the investigated temperature range of 1.9 K < T < 5 K is dominated by quantum tunnelling of magnetisation and two-phonon Raman processes. The possibility of observing electron paramagnetic resonance transitions between the ground-state doublet states, which can be suppressed in perfectly axial single-ion magnets, renders the studied systems interesting as representations of quantum bits.
ISSN: 2041-6520
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Non-KU Leuven Association publications
× corresponding author
# (joint) last author

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