Microscopic theory for electron-phonon coupling in twisted bilayer graphene

This dataset provides the underlying numerical results from a first-principles-based microscopic theory investigating electron-phonon coupling in twisted bilayer graphene. This data package specifically catalogs the electron-phonon interactions, Eliashberg functions, and mode-specific coupling strengths generated via a momentum-space continuum model. Dataset structure and contents: The data is organized into three primary compressed directories representing the evolution of EPC from the atomic to the macroscopic scale: EPC Constants and Eliashberg Functions (lambda.zip): Contains .mat files indexed by twist angle (\theta). Key variables include the Eliashberg function (\alpha^2F) and EPC constants (\lambda) calculated under both adiabatic and non-adiabatic frameworks, allowing for comparison of dynamical effects near the magic angle. Mode-Averaged Matrix Elements (g_avg_new.zip): Data identifying the contribution of specific phonon branches to the total coupling strength. Phonon Dispers..., , # Data from: Microscopic theory for electron-phonon coupling in twisted bilayer graphene Dataset DOI: [10.5061/dryad.t76hdr8f9](https://doi.org/10.5061/dryad.t76hdr8f9) ## Description of the data and file structure This dataset contains the numerical outputs of a first-principles-based microscopic theory designed to evaluate the electron-phonon coupling in twisted bilayer graphene. The model utilizes a momentum-space continuum approach, bypassing the computational cost of periodic supercells. The results include calculations within the generalized Eliashberg-McMillan framework, providing a comparison between adiabatic approximations and a full non-adiabatic treatment of the moiré flat bands. Here, we include the data necessary to reproduce the key results. ## 1. Filename: lambda.zip **Description:** lambda.zip contains the calculated electron-phonon coupling (EPC) constant and Eliashberg function. Variables in lambda_<<theta_deg>>.mat files: * `E_list`: list of Fermi energies ...,本数据集提供了基于第一性原理的微观理论的核心数值结果，该理论用于研究扭转双层石墨烯（twisted bilayer graphene）中的电子-声子耦合（electron-phonon coupling, EPC）。本数据包专门收录了通过动量空间连续介质模型（momentum-space continuum model）生成的电子-声子相互作用、伊莱亚斯贝格函数（Eliashberg function）以及特定模式耦合强度数据。 ### 数据集结构与内容 数据被划分为三个主要压缩目录，用以展示电子-声子耦合从原子尺度到宏观尺度的演化过程： 1. **EPC常数与伊莱亚斯贝格函数（lambda.zip）**：包含以扭转角（$ heta$）为索引的.mat格式文件。核心变量包括伊莱亚斯贝格函数（$alpha^2F$）以及在绝热与非绝热框架下计算得到的电子-声子耦合常数（$lambda$），可用于对比魔角附近的动力学效应。 2. **模式平均矩阵元（g_avg_new.zip）**：该数据用于明确特定声子分支对总耦合强度的贡献。 3. **声子色散（Phonon Dispers...）**：（原文此处存在截断） > 数据来源：扭转双层石墨烯中电子-声子耦合的微观理论 数据集DOI：[10.5061/dryad.t76hdr8f9](https://doi.org/10.5061/dryad.t76hdr8f9) ## 数据与文件结构说明 本数据集包含基于第一性原理的微观理论的数值输出结果，该理论旨在评估扭转双层石墨烯中的电子-声子耦合。该模型采用动量空间连续介质方法，规避了周期性超胞的计算成本。计算结果涵盖广义伊莱亚斯贝格-麦克米兰（Eliashberg-McMillan）框架下的计算内容，可对比绝热近似与莫尔平带（moiré flat bands）的全非绝热处理结果。本次发布包含复现核心研究结果所需的全部数据。 ### 1. 文件名：lambda.zip **文件说明**：lambda.zip包含计算得到的电子-声子耦合常数与伊莱亚斯贝格函数。 lambda_<<theta_deg>>.mat文件中的变量： * `E_list`：费米能列表……