Quantum transport theory with nonequilibrium coherent potentials
Bibliographic record
Abstract
Since any realistic electronic device has some degree of disorder, predicting disorder effects in quantum transport is a critical problem. Here, we report the theory of nonequilibrium coherent potential approximation (NECPA) for analyzing disorder effects in nonequilibrium quantum transport of nanoelectronic devices. The NECPA is formulated by contour-ordered nonequilibrium Green's function where the disorder average is carried out within the coherent potential approximation on the complex-time contour. We have derived a set of rules that supplement the celebrated Langreth theorem and, as a whole, the generalized Langreth rules allow us to derive NECPA equations for real-time Green's functions. The solution of NECPA equations provides the disorder-averaged nonequilibrium density matrix as well as other relevant quantities for quantum transport calculations. We establish the excellent accuracy of NECPA by comparing its results to brute force numerical calculations of disordered tight-binding models. Moreover, the connection of NECPA equations which are derived on the complex-time contour to the nonequilibrium vertex correction theory which is derived on the real-time axis is made. As an application, we demonstrate that NECPA can be combined with density functional theory to enable analysis of nanoelectronic device physics from atomistic first principles.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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) | 0.001 | 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) | 0.004 | 0.001 |
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".