ISIS Neutron and Muon Source Data Journal

Magnetic ordering in AgFBF4 – a nearly perfect 1D AFM with huge intra-chain coupling

Abstract: We propose to investigate AgFBF4, a compound known for > 20 years, with muon spectroscopy. The scope is to determine the 3D ordering temperature as well as estimate the value of J for this Ag(2+)-based 1D antiferromagnet, which shows the shortest Ag-F bond length ever measured (~ 2 Å). Our rigorous DFT calculations (both +U and hybrid HSE06) point to an unprecedented large absolute J of 331 meV, which is >30% larger than that measured for Sr2CuO3. The J values are usually reproduced with satisfactory accuracy at this level of calculations, for example the value computed for Sr2CuO3 is -253 meV (= overestimated by < 5%). If this is confirmed by experiment, fluoroargentates(II) would outperform isoelectronic oxocuprates(II) and rank second to none as far as the absolute value of J via one atom is considered. Moreover, AgFBF4 should be even closer to perfect 1D behaviour than Sr2CuO3.

Principal Investigator: Professor Wojciech Grochala
Experimenter: Dr Zoran Mazej
Experimenter: Dr Dominik Kurzydlowski
Experimenter: Mr Tomasz Gilewski
Experimenter: Professor Stephen Blundell
Local Contact: Dr Stephen Cottrell

DOI: 10.5286/ISIS.E.RB1510137

ISIS Experiment Number: RB1510137

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 Wojciech Grochala et al; (2015): Magnetic ordering in AgFBF4 – a nearly perfect 1D AFM with huge intra-chain coupling, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1510137

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