Precise Chemical, Electronic, and Magnetic Structure of Binuclear Complexes Studied by Means of X-ray Spectroscopies and Theoretical Methods
| Autor: | Jean-Paul Kappler, Bernhard Rieger, Andreas Meyering, David M. Benoit, Karsten Kuepper, Manfred Neumann, Ulf Wiedwald, Stefan Weidle, Paul J. Ziemann, Loïc Joly, Florian Mögele |
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| Rok vydání: | 2011 |
| Předmět: |
Valence (chemistry)
Spin states Magnetic moment Magnetic structure Magnetic circular dichroism Magnetism Chemistry Analytical chemistry Physik (inkl. Astronomie) Molecular physics Surfaces Coatings and Films Electronic Optical and Magnetic Materials Condensed Matter::Materials Science General Energy Diamagnetism Condensed Matter::Strongly Correlated Electrons Physical and Theoretical Chemistry Ground state |
| Zdroj: | The Journal of Physical Chemistry C. 115:25030-25039 |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | We investigate two planar complexes MnNi and CoNi (see Scheme 1) by X-ray photoelectron spectroscopy (XPS) and ultralow-temperature X-ray magnetic circular dichroism (XMCD). In this way the valence states as well as the presence of uncompensated magnetic moments are obtained. The magnetism has been probed at a temperature of 0.6 K in order to reveal the magnetic ground state properties. We find that divalent Ni ions are in a diamagnetic low spin ground state in both complexes; however, in MnNi a small fraction of divalent nickel high-spin ions leads to a residual XMCD signal, indicating parallel spin alignment with the Mn spins. Mn and Co are found to be in a divalent high-spin configuration in both compounds. Theoretically, we address the energetic ordering of the different possible spin states of the binuclear complexes using (zeroth-order) relativistic approximation density functional calculations and a triple-ζ quality basis set. These results show that intermediate-spin states are often favored over ... |
| Databáze: | OpenAIRE |
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