A5011624268- Magnetism in coordination complexes
- Fullerene Chemistry and Applications
- Graphene research and applications
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Lanthanide and Transition Metal Complexes
- Advanced NMR Techniques and Applications
- Boron and Carbon Nanomaterials Research
- Advanced Condensed Matter Physics
- Magnetic and transport properties of perovskites and related materials
- Magnetic properties of thin films
- Analytical Chemistry and Chromatography
- Magnetic Properties of Alloys
- Diamond and Carbon-based Materials Research
- Electron Spin Resonance Studies
- Various Chemistry Research Topics
- Molecular Junctions and Nanostructures
- Inorganic Chemistry and Materials
- Catalysis and Oxidation Reactions
- DNA and Nucleic Acid Chemistry
- Porphyrin and Phthalocyanine Chemistry
- Organic and Molecular Conductors Research
Leibniz Institute for Solid State and Materials Research
2019-2023
Lund University
2021
Helmholtz Association of German Research Centres
2019
Institute of Biophysics
1975
Abstract The azafullerene Tb 2 @C 79 N is found to be a single‐molecule magnet with high 100‐s blocking temperature of magnetization 24 K and large coercivity. magnetic moments an easy‐axis single‐ion anisotropy are strongly coupled by the unpaired spin single‐electron Tb−Tb bond. Relaxation in below 15 proceeds via quantum tunneling characteristic time τ QTM =16 462±1230 s. At higher temperature, relaxation follows Orbach mechanism barrier 757±4 K, corresponding excited states, which one...
Nd-luminescence in NdM 2 N@C 80 (M = Sc, Lu, Y) reveals the relationship between strain, ligand-field splitting, nephelauxetic effect, and magnetic axiality.
Magnetic hysteresis is demonstrated for monolayers of the single-molecule magnet (SMM) Dy
The ordering of endohedral clusterfullerenes Sc<sub>3</sub>N@C<sub>80</sub> and YSc<sub>2</sub>N@C<sub>80</sub> co-crystallized with Ni(OEP) isolated complexes have been investigated theoretically.
The impact of the second metal on synthesis and molecular structure Dy–M nitride clusterfullerenes (M = Gd, Er, Tm, Lu) is evaluated systematically.
The hunt for high-performance single-molecule magnets (SMM) revealed that atomic and molecular lanthanide systems combining 4f-shell valence magnetism (FV-magnetism) may show magnetic bistability up to unexpectedly high temperatures. Here we rationalize the stability of in FV-systems from first principles on example LnII(CpiPr5)2 molecules.
Photoexcitation mechanism of Y<sub>x</sub>Sc<sub>3−x</sub>N@C<sub>80</sub>metallofullerenes is studied by variable-temperature photoluminescence, advanced EPR techniques, and DFT calculations, revealing photoinduced rotation the endohedral cluster.
Realization of stable spin states in surface-supported magnetic molecules is crucial for their applications molecular spintronics, memory storage or quantum information processing. In this work, we studied the surface magnetism dimetallo-azafullerene Tb2@C79N, showing a broad hysteresis bulk form. Surprisingly, monolayers Tb2@C79N exhibited completely different behavior, with prevalence ground state antiferromagnetic coupling at low field and metamagnetic transition 2.5-4 T. Monolayers were...
The molecular structure of Sc3N@C2v(7854)-C70 was determined by single-crystal X-ray diffraction. Variable-temperature diffraction analysis unraveled the details phase transition caused temperature-driven jumplike rotation fullerene cage between two orientations. Whereas in lower-temperature P21/c predominantly occupies one orientation, orientations become equally occupied higher-temperature C2/m phase. This work provides a rare example well-defined order–disorder metallofullerene crystals...
Abstract Das Azafulleren Tb 2 @C 79 N wird als Einzelmolekülmagnet mit einer hohen 100‐s‐Block‐Temperatur der Magnetisierung von 24 K und hoher Koerzitivfeldstärke identifiziert. Die magnetischen Momente magnetischer Vorzugsachsen‐Anisotropie sind durch den ungepaarten Spin Einelektronenbindung stark gekoppelt. Relaxation findet in bei Temperaturen unter 15 Quantentunneln charakteristischen Relaxationszeit τ QTM =16 462±1230 s statt. Bei höheren folgt die dem Orbach‐Mechanismus Barriere...
A key parameter for the low-temperature magnetic coupling of in dinuclear lanthanide single-molecule magnets (SMMs) is barrier ${U}_{FA}$ resulting from exchange and dipole interactions between two $4f$ moments. Here we extend pseudospin model previously used to describe ground state endofullerenes account variations orientation single-ion anisotropy axes apply it SMMs ${\mathrm{Dy}}_{2}\mathrm{ScN}$@${\mathrm{C}}_{80}$ ${\mathrm{Dy}}_{2}\mathrm{TiC}$@${\mathrm{C}}_{80}$. While x-ray...
Impact of valence electrons on the magnetic properties lanthanide-based monatomic systems surfaces and in molecules. And FV-magnetism - as a crucial bit further understanding design new generation atomic magnets.
In this report, we study the ordering of C60 , Sc3 N@C80 and Dy2 ScN@C80 molecules on different metallic dielectric surfaces such as Ag(100), Au(111), MgO(100). By using DFT techniques, can classify types cage-to-surface arrangements their relative energies. Using a proposed homogenous sampling conformational space for M3 N cluster, determine potential energy map that is capable providing structural distribution given window. We find Coulomb interaction dominant force governs system's...
Abstract Magnetic hysteresis is demonstrated for monolayers of the single‐molecule magnet (SMM) Dy 2 ScN@C 80 deposited on Au(111), Ag(100), and MgO|Ag(100) surfaces by vacuum sublimation. The topography electronic structure adsorbed Au(111) were studied STM. X‐ray magnetic CD studies show that exhibit similarly broad independent substrate used, but orientation ScN cluster depends strongly surface. DFT calculations extent interaction fullerene molecules with surface increasing dramatically...
Encapsulation of magnetic species within robust molecular containers is a natural route towards stable and processable single molecule magnets (SMMs). Air-stability, thermal stability, ability to form thin layers on different substrates are among the critical issues be addressed. Chemical stability fullerenes makes them perfectly suitable for this goal. Fullerenes can encapsulate up four metal atoms their inner space, number lanthanide EMFs was found show SMM behavior. 1-5 Besides, EMF-SMMs...
Detailed electronic structure of single atomic magnets is a crucial bit in the further understanding and design new generation monoatomic magnetic elements on surfaces molecules. Control manipulation state, as well long relaxation magnetization, have been demonstrated for lanthanide atoms carefully chosen supporting substrates. However, these convincing experiments are puzzling by insufficient theoretical description, usually omitting valence electrons atoms. In this work, starting with an...
Detailed electronic structure of single atomic magnets is a crucial bit in the further understanding and design new generation monoatomic magnetic elements on surfaces molecules. Control manipulation state, as well long relaxation magnetization, have been demonstrated for lanthanide atoms carefully chosen supporting substrates. However, these convincing experiments are puzzling by insufficient theoretical description, usually omitting valence electrons atoms. In this work, starting with an...