Theoretical impurity-limited carrier mobility of monolayer black phosphorus
Bibliographic record
Abstract
Monolayer black phosphorus (MBP) is a strong candidate for applications in emerging electronic devices. In this work, we report theoretical calculations of impurity limited carrier mobility of MBP using a state-of-the-art first principles quantum transport method where density functional theory is carried out within nonequilibrium Green's function formalism and multiple impurity scattering is calculated by coherent potential approximation. We predict mobilities of both hole and electron carriers due to carbon (C) and sulfur (S) impurity atoms. For impurities concentrations ranging from 0.6% to very high 2.0%, the mobilities drop from several hundreds (in cm2/Vs) to less than 100 in the armchair direction (AC) and show less variation in the zigzag (ZZ) one. The mobilities at smaller impurity concentration range are consistent with the various experimentally reported values. For the entire range, hole mobility is slightly larger than electron mobility in the AC direction and an order of magnitude smaller in the ZZ direction.
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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 | 0.000 | 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 | 0.001 |
| 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 teacher head, 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".