DFT + <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>U</mml:mi></mml:math>study of magnetic order in doped La<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:msub></mml:math>CuO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>4</mml:mn></mml:msub></mml:math>crystals
Bibliographic record
Abstract
This article presents the results of several magnetic phases of doped La${}_{2\ensuremath{-}x}$Sr${}_{x}$CuO${}_{4}$ using density-functional theory with an added Hubbard term (DFT + $U$). Doping factors from $x=0$ to $0.25$ were examined. We found that a bond-centered stripe is the magnetic ground state for $x=1/8$ and $1/4$. No stable stripe order was found for $x=1/6$. Analysis of the electron density revealed that apical oxygen atoms, those located above and below the copper atoms in the CuO${}_{2}$ planes, hold a non-negligible part of the holes at large doping and present a small spin polarization. Finally, the charge reorganization caused by the magnetic stripe modulation was studied for bond-centered and atom-centered stripes.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.004 | 0.002 |
| Meta-epidemiology (narrow) | 0.004 | 0.005 |
| Meta-epidemiology (broad) | 0.002 | 0.006 |
| Bibliometrics | 0.001 | 0.003 |
| Science and technology studies | 0.003 | 0.004 |
| Scholarly communication | 0.002 | 0.005 |
| Open science | 0.006 | 0.006 |
| Research integrity | 0.004 | 0.006 |
| Insufficient payload (model declined to judge) | 0.007 | 0.009 |
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; both teacher heads agree on what is shown here.
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".