pith:VFEDZJ2J
Systematic dynamical mean-field theory study of 3d perovskite oxides with uniform Coulomb interactions
Charge self-consistent eDMFT with uniform Coulomb values matches photoemission spectra across many 3d perovskite oxides.
arxiv:2605.16771 v1 · 2026-05-16 · cond-mat.str-el
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Claims
Our results establish that charge self-consistent eDMFT enables robust, parameter-tuning-free high-throughput many-body calculations for correlated oxides, opening a practical pathway toward predictive electronic-structure databases for strongly correlated materials.
The self-consistently screened Coulomb interactions naturally fall within relatively narrow ranges for correlated metals and insulators (as shown by recent constrained-eDMFT calculations), allowing the use of uniform U=6 eV and U=10 eV values across chemically similar ABO3 compounds.
Charge self-consistent eDMFT with uniform U=6 eV for metals and U=10 eV for insulators yields spectral functions in excellent agreement with photoemission experiments across ABO3 compounds (A=Ca,Sr,La; B=V-Ni).
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| First computed | 2026-05-20T00:03:21.108448Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519
(pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
a9483ca7498f4c3befabc46b56468b762a4ce421f6672675ef7066148ab8b3f6
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curl -sH 'Accept: application/ld+json' https://pith.science/pith/VFEDZJ2JR5GDX35LYRVVMRULOY \
| jq -c '.canonical_record' \
| python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
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Canonical record JSON
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