Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation
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Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation. / Pedersen, Kasper Steen; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan.
I: Chemical Science, Bind 5, Nr. 4, 2014, s. 1650-1660.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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T1 - Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation
AU - Pedersen, Kasper Steen
AU - Ungur, Liviu
AU - Sigrist, Marc
AU - Sundt, Alexander
AU - Schau-Magnussen, Magnus
AU - Vieru, Veacheslav
AU - Mutka, Hannu
AU - Rols, Stephane
AU - Weihe, Høgni
AU - Waldmann, Oliver
AU - Chibotaru, Liviu F.
AU - Bendix, Jesper
AU - Dreiser, Jan
PY - 2014
Y1 - 2014
N2 - 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.
AB - 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.
U2 - 10.1039/c3sc53044b
DO - 10.1039/c3sc53044b
M3 - Journal article
AN - SCOPUS:84897583715
VL - 5
SP - 1650
EP - 1660
JO - Chemical Science
JF - Chemical Science
SN - 2041-6520
IS - 4
ER -
ID: 130983478