pith:FRRFSZOH
Re-refinement of the structure of the planar hexagonal phase of ZnO nanocrystals
Re-refining the original diffraction data revises the lattice parameters of the planar hexagonal ZnO phase to match computational predictions.
arxiv:2511.09912 v2 · 2025-11-13 · cond-mat.mtrl-sci
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Claims
The re-refined P63/mmc structure has lattice parameters a = 3.45±0.02 Å and c = 4.46±0.02 Å at room temperature, 0.35 Å and 0.80 Å larger than previously reported and in good agreement with computational predictions.
That the phase-shift determination combined with Morlet wavelet transformation applied to the original (unspecified) diffraction data uniquely identifies the P63/mmc structure without introducing artifacts or requiring additional constraints.
Re-refinement of h-ZnO nanocrystal data using phase-shift and Morlet wavelet methods gives room-temperature lattice parameters a = 3.45 ± 0.02 Å and c = 4.46 ± 0.02 Å, larger than prior reports and matching first-principles calculations.
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| First computed | 2026-06-04T01:08:35.973674Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519
(pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
2c625965c71314069f0c0542c3072092a5d3a7f0422d0791d4001aa412da73d3
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curl -sH 'Accept: application/ld+json' https://pith.science/pith/FRRFSZOHCMKANHYMAVBMGBZASK \
| jq -c '.canonical_record' \
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Canonical record JSON
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