Cu[Li1/3Sn2/3]O2 and Cu[Na1/3Sn2/3]O2: Crystal Structure and Phonon Dispersion in Quaternary Honeycomb Delafossites
Abstract
Magnetic materials with spin-1/2 ions on a two dimensional honeycomb lattice are candidates for a Kitaev spin liquid phase. The study of non-magnetic honeycomb delafossites provides a basis to model the physical properties of magnetic honeycomb materials. Here, we report two new quaternary non-magnetic delafossites, Cu[Li1/3Sn2/3]O2 and Cu[Na1/3Sn2/3]O2, with honeycomb ordering synthesized via a topotactic cation-exchange reaction. The monoclinic C2/c space group and twinned stacking faults are determined from the Rietveld refinement and TEM analysis. Additionally, the phonon heat capacity for these non-magnetic layered oxides is captured accurately by first principles calculations. These results are an important step toward having a reliable model to calculate phonon contribution to the heat capacity in magnetic delafossites.
NSF-1708929.- Publication:
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APS March Meeting Abstracts
- Pub Date:
- 2019
- Bibcode:
- 2019APS..MARP01002B