Table · dataset · 2026
Data for Heterometallic spin-1/2 quantum magnet under hydrostatic pressure
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We investigate the properties of CuVOF4(H2O)6·H2O, in which two different spin species, Cu(II) and V(IV), form antiferromagnetic spin-1/2 dimers with weak interdimer coupling provided via hydrogen bonding.
Description
Using radio-frequency susceptometry and electron-spin resonance (ESR), we show how the temperature-magnetic field spin-dimer phase diagram evolves as a function of applied hydrostatic pressure and correlate this with pressure-induced changes to the crystal structure.
These results, coupled with pressure-tuned DFT calculations, confirm the prior prediction that the primary exchange interaction is mediated via an unusual mechanism in which the V(IV) ions provide considerable spin density to the oxygen that joins the two spins in each dimer and which lies along the Jahn-Teller axis of the Cu(II) ion. In addition, the dissimilarity in the spins that make up each dimer unit leads to a non-linear field dependence of the electronic energy levels as detected in the ESR measurements.<br><br>Data archive for results shown in paper "Heterometallic spin-1/2 quantum magnet under hydrostatic pressure" by MJ Coak et al, 2026
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Where it is published
- DOI doi.org/10.82444/warw.33913504.v1 ↗
DOI / persistent id · from figshare com
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
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Topics
- From keywords
- Astronomy & Astrophysics · Chemistry · Computer Science & AI · Earth & Environmental Science · Economics & Finance · Engineering · Humanities · Life Sciences · Medicine & Health · Ocean & Atmospheric Science · Social Science
- Inferred from text
- Density functional theory 65% · Theoretical and computational chemistry 72%
Provenance · 1 source records, 18 field assertions
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|---|---|---|---|
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