Modeling the electronic states and magnetic properties derived from the f1 configuration in lanthanocene and actinocene compounds
Author:
Affiliation:
1. Centro de Nanociencias Aplicadas
2. Facultad de Ciencias Exactas
3. Universidad Andres Bello
4. Santiago
5. Chile
Abstract
The electronic structure and magnetic properties of a series of Kramers ions with f1 configuration in axial symmetry have been analyzed with a combination of theoretical methods: ab initio relativistic wavefunction methods as well as a crystal-field (CF) model with parameters extracted from the ab initio calculations.
Publisher
Royal Society of Chemistry (RSC)
Subject
Inorganic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2017/DT/C7DT00111H
Reference65 articles.
1. A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K
2. Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets
3. An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet
4. An Organometallic Sandwich Lanthanide Single-Ion Magnet with an Unusual Multiple Relaxation Mechanism
5. Single-Molecule-Magnet Behavior in Mononuclear Homoleptic Tetrahedral Uranium(III) Complexes
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