ISIS Neutron and Muon Source Data Journal

Crystal and Magnetic Structures of New Tungsten Nitride Perovskite-related Materials

Abstract: Nitride perovskites and related materials such as Ruddlesden-Popper (RP) layered nitrides are a recently discovered family of materials with exciting properties. Further exploration of W-based nitrides has led to two new materials that we propose to study here; the perovskite NdWN3 and the RP nitride Ce2WN4. Ce2WN4 crystallizes with a slight orthorhombic distortion of the tetragonal RP aristotype similar to the related material Ce2TaN4, where structural distortions originated from Ce3+/Ce4+ mixed valence. NdWN3 has an orthorhombic perovskite superstructure with octahedral tilt ordering (for the first time in this family). Rather surprisingly, the effective paramagnetic moment of Ce2WN4 indicates the presence of only one Ce3+/f.u., which indicates a mixed valent compound Ce3+Ce4+W5+N4, similar to Ce3+Ce4+Ta5+N4. At low temperatures, FC/ZFC measurements on Ce2WN4 indicate a Curie transition at TC ? 9 K with a saturated moment of ~1 ?B/f.u. This could be consistent with ferrimagnetic order of up-Ce3+ and down-W5+ moments. Susceptibility measurements of NdWN3 (Fig. 2d) show paramagnetic behaviour of Nd3+ without magnetic ordering down to 2 K. We request 2 days of beamtime to study Ce2WN4 and NdWN3 on the WISH beamline at ISIS. Neutron diffraction is essential for crystal and magnetic structure determinations as well as confirming that such nitride perovskites are stoichiometric, oxygen-free, materials.

Principal Investigator: Professor Paul Attfield
Experimenter: Dr Kevin Iputera
Experimenter: Mr Dominik Werhahn
Experimenter: Dr Yuichi Shimakawa
Experimenter: Dr Masato Goto
Experimenter: Dr Kunlang Ji
Experimenter: Dr Simon Kloss
Local Contact: Dr Pascal Manuel
Experimenter: Mr Jonas Albrecht
Experimenter: Ms Nina Prinz
Experimenter: Dr Sean Injac
Experimenter: Mr Shilin Xu
Experimenter: Mr Chulin Zhang

DOI: 10.5286/ISIS.E.RB2510195

ISIS Experiment Number: RB2510195

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Paul Attfield et al; (2025): Crystal and Magnetic Structures of New Tungsten Nitride Perovskite-related Materials, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2510195

Data is released under the CC-BY-4.0 license.