Electronic Structure, Bandgap, and Thermal Quenching of Sr[Mg<sub>3</sub>SiN<sub>4</sub>]:Eu<sup>2+</sup> in Comparison to Sr[LiAl<sub>3</sub>N<sub>4</sub>]:Eu<sup>2+</sup>
Bibliographic record
Abstract
In this study the band gap and electronic structure of the next‐generation, red phosphor Sr[Mg3SiN4]:Eu2+ (SMS) are explored through a combination of soft X‐ray spectroscopy, density functional theory calculations, and thermal quenching data for the Eu2+ 5d→4f emissions. The results will be compared to those for the high‐efficiency phosphor Sr[LiAl3N4]:Eu2+ (SLA), which shows different, yet exceptional emission characteristics in the red‐spectral region. It is found that SMS has an indirect band gap of 3.28 ± 0.20 eV, strong uniformity in the density of states of its nonequivalent nitrogen sites, and an estimated energetic separation between the lowest Eu2+ 5d state and the conduction band of ≈0.13 eV. The Eu2+ 5d–conduction band separation in SLA is found to be ≈0.28 eV, which points to why the visible emissions of SLA, and not SMS, show outstanding thermal stability. A bonding scheme explaining the band gap difference of SMS and SLA is proposed based on the density of states of SMS. Modifications to each lattice are put forward for achieving optimized phosphor characteristics for use in pc‐LEDs.
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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".