Oxygen vacancy filament formation in TiO2: A kinetic Monte Carlo study
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Bibliographic record
Abstract
We report a kinetic Monte Carlo (kMC) investigation of an atomistic model for 3-dimensional structural configurations of TiO2 memristor, focusing on the oxygen vacancy migration and interaction under an external voltage bias. kMC allows the access of experimental time scales so that the formation of well defined vacancy filaments in thin TiO2 films can be simulated. The results show that the electric field drives vacancy migration; and vacancy hopping-induced localized electric field plays a key role for the filament evolution. Using the kMC structure of the filaments at different stages of the formation process, electronic density of states (DOS) are calculated by density functional theory. Filament induced gap states are found which gives rise to a transition from insulating behavior to conducting behavior during the filament formation process. By varying kMC simulations parameters, relations between vacancy diffusion, filament formation, and DOS in the TiO2 thin film are elucidated.
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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 | 0.000 | 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) | 0.000 | 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 it