Structure‐Induced Switching of the Band Gap, Charge Order, and Correlation Strength in Ternary Vanadium Oxide Bronzes
Bibliographic record
Abstract
Abstract Recently, V2O5 nanowires have been synthesized as several different polymorphs, and as correlated bronzes with cations intercalated between the layers of edge‐ and corner‐ sharing VO6 octahedra. Unlike extended crystals, which tend to be plagued by substantial local variations in stoichiometry, nanowires of correlated bronzes exhibit precise charge ordering, thereby giving rise to pronounced electron correlation effects. These developments have greatly broadened the scope of research, and promise applications in several frontier electronic devices that make use of novel computing vectors. Here a study is presented of δ‐SrxV2O5, expanded δ‐SrxV2O5, exfoliated δ‐SrxV2O5 and δ‐KxV2O5 using a combination of synchrotron soft X‐ray spectroscopy and density functional theory calculations. The band gaps of each system are experimentally determined, and their calculated electronic structures are discussed from the perspective of the measured spectra. Band gaps ranging from 0.66 ± 0.20 to 2.32 ± 0.20 eV are found, and linked to the underlying structure of each material. This demonstrates that the band gap of V2O5 can be tuned across a large portion of the range of greatest interest for device applications. The potential for metal–insulator transitions, tuneable electron correlations and charge ordering in these systems is discussed within the framework of our measurements and calculations, while highlighting the structure‐property relationships that underpin them.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".