Journal Article

FZJ-2020-02459

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Intramolecular crossover from unconventional diamagnetism to paramagnetism of palladium ions probed by soft X-ray magnetic circular dichroism

Smekhova, A.FZJ* ; Schmitz, D. ; Izarova, N. V.FZJ* ; Stuckart, M.FZJ* ; Shams, S. F.FZJ* ; Siemensmeyer, K. ; de Groot, F. M. F. ; Kögerler, P.FZJ* ; Schmitz-Antoniak, C. (Corresponding author)FZJ*

2020
Macmillan Publishers Limited, part of Springer Nature [London]

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Please use a persistent id in citations: http://hdl.handle.net/2128/25434  doi:10.1038/s42004-020-0327-9

Abstract: The case of palladium(II) ions in molecular polyoxopalladates highlights the importance of accounting not only for nearest neighbour atoms or ions in order to understand, model or predict magnetic characteristics. Here, using site-specific soft X-ray magnetic circular dichroism (XMCD), the effects of different bond lengths, delocalization of 4d electrons, and 4d spin-orbit coupling on the electronic and magnetic properties are investigated and three different states identified: Conventional diamagnetism in a square-planar O4 coordination environment, paramagnetism caused by four additional out-of-plane oxygen anions, and an unusual diamagnetic state in the diamagnetic/paramagnetic crossover region modified by significant mixing of states and facilitated by the substantial 4d spin-orbit coupling. The two diamagnetic states can be distinguished by characteristic XMCD fine structures, thereby overcoming the common limitation of XMCD to ferro-/ferrimagnetic and paramagnetic materials in external magnetic fields. The qualitative interpretation of the results is corroborated by simulations based on charge transfer multiplet calculations and density functional theory results.

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Contributing Institute(s):

1. Elektronische Eigenschaften (PGI-6)

Research Program(s):

1. 522 - Controlling Spin-Based Phenomena (POF3-522) (POF3-522)

Appears in the scientific report 2020

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