Journal Article

PUBDB-2026-03134

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Revealing charge anisotropies in metal compounds via high-purity x-ray polarimetry

Scherthan, L.Extern* ; Wolny, J. A.Extern* ; Faus, I.Extern* ; Leupold, O.XFEL.EU*DESY* ; Schulze, K. S.Extern* ; Höfer, S.Extern* ; Loetzsch, R.Extern* ; Marx-Glowna, B. ; Anson, C. E. ; Powell, A. K.Extern* ; Uschmann, I. ; Wille, H.-C.XFEL.EU*DESY* ; Paulus, G. G. ; Schünemann, V. ; Roehlsberger, R. (Corresponding author)XFEL.EU*DESY*

2026
APS College Park, MD

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Please use a persistent id in citations: doi:10.1103/rj8d-86dj  doi:10.3204/PUBDB-2026-03134

Report No.: arXiv:2008.11820

Abstract: Linear polarization analysis of hard x-rays is employed to probe electronic anisotropies in metal-containing complexes with high selectivity. We use polarization-resolved nuclear forward scattering (PR-NFS) of synchrotron radiation at the 14.4 keV nuclear resonance of Fe57 to determine electric field gradients (EFGs) in an iron(II) spin-crossover compound as they evolve during a temperature-dependent high-spin/low-spin transition. A pair of crossed Si(840) channel-cut crystals provides a high-purity x-ray polarimeter that suppresses the nonresonant background by nearly nine orders of magnitude and enables selective detection of nuclear resonant σ→π scattering. Using the spin-crossover complex Fe(PM-BiA)$_2$(NCS)$_2$ as a model system, we determine the orientation of the EFG tensor in the high-spin and low-spin states and follow its reorientation across the gradual thermally driven spin transition. By choosing suitable sample orientations, the polarization selectivity enhances the signal of a high-spin minority fraction of a few percent at low temperature. It reveals that the high-spin EFG at 120 K is not randomly distributed and does not align with the dominant low-spin EFG when these high-spin centers form a minority phase embedded in a low-spin matrix. The combination of PR-NFS with dynamical NFS simulations and density-functional calculations thus provides a sensitive, element- and site-selective method to quantify electronic anisotropies and their changes across phase transitions in Mössbauer-active metal compounds.

Note: (BMFTR) in the frame of the Projects No. 05K16UKA and No. 05K13SJ1

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Contributing Institute(s):

1. FS DOOR-User (FS DOOR-User)
2. PETRA-S (FS-PETRA-S)
3. externe Institute im Bereich Photon Science (HI Jena)
4. Photon Science (FS-PS)

Research Program(s):

1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. DFG project G:(GEPRIS)290453569 - Spin+X Zentrales Management (Z) (290453569) (290453569)
4. DFG project G:(GEPRIS)268565370 - TRR 173 Spin+X: Der Spin in seiner kollektiven Umgebung (268565370) (268565370)

Experiment(s):

1. PETRA Beamline P01 (PETRA III)

Appears in the scientific report 2026

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Database coverage:
; ; ; ; Article Processing Charges ; Clarivate Analytics Master Journal List ; DOAJ Seal ; Emerging Sources Citation Index ; Fees ; IF < 5 ; JCR ; SCOPUS ; Web of Science Core Collection

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Linked articles:

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Preprint Scherthan, L. ; Wolny, J. A. ; Faus, I. ; Leupold, O.XFEL.EU*DESY* ; Schulze, K. S. ; Höfer, S. ; Loetzsch, R. ; Marx-Glowna, B. ; Anson, C. E. ; Powell, A. K. ; Uschmann, I. ; Wille, H.-C. ; Paulus, G. G. ; Schünemann, V. ; Roehlsberger, R. (Corresponding author)XFEL.EU*DESY*
Revealing charge anisotropies in metal compounds via high-purity x-ray polarimetry
(2026)2026     Files  Fulltext by arXiv.org BibTeX | EndNote: XML, Text | RIS

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