Source code and simulation results: High Purcell enhancement in all-TMDC nanobeam resonator designs with active monolayers for nanolasers

This publication offers the necessary data and scripts to replicate the content of the paper [F. Binkowski et al., Phys. Rev. B 112, 235410 (2025)]. A theoretical framework that models and optimizes the Purcell enhancement associated with the emission from atomically thin layers is developed. The framework is applied to investigate a nanobeam resonator which is fully composed of TMDC materials and intended to operate as a nanolaser. Usage All Matlab files can be run without computing finite element solutions as the required data is already computed and stored. However, in order to run the scripts, corresponding place holders have to be replaced with a path to your installation of JCMsuite and JCMoptimizer. Free trial licenses are available, please refer to the homepage of JCMwave and JCMoptimizer. The scripts are named according to the individual figures.Note that the file size of figure05.zip is large because it contains all resonance modes (N = 16) for different finite element degrees (p=1,...,4), for both the optimizations with and without the Q-factor constraint. Requirements JCMsuite (tested with version 6.4.8) JCMoptimizer (tested with version 2.0.5) MATLAB (tested with version R2023b) RAM Requirements For the convergence plot in Fig. 4(b), resonance problems with different finite element degrees (p) are computed. p = 1: 4.3 GB (accuracy insufficient) p = 2: 44.6 GB p = 3: 266.0 GB p = 4: 1250.4 GB Acknowledgments We acknowledge funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy - The Berlin Mathematics Research Center MATH+ (EXC-2046/1, project ID: 390685689), by the German Federal Ministry of Research, Technology and Space (BMFTR, Forschungscampus MODAL, project 05M20ZBM), by the Senate of Berlin, within the Program for the Promotion of Research, Innovation and Technology (ProFIT) co-financed by the European Regional Development Fund (ERDF, application no. 0206824, SQALE), by the European Research Council (ERC-StG ``TuneTMD'', grant no. 101076437), and by the Villum Foundation (grant no. VIL53033).本数据集提供了复现[F. Binkowski等人，《物理评论B》第112卷，第235410页(2025年)]论文内容所需的全部数据与脚本。本研究构建了一套理论框架，用于建模并优化与原子级薄层发射相关的珀塞尔增强(Purcell enhancement)。该框架被用于研究一款完全由过渡金属硫族化合物（TMDC）材料制成的纳米梁谐振器，其设计用作纳米激光器。 使用说明 所有Matlab脚本均可直接运行，无需额外计算有限元解(finite element solutions)，所需数据已预先计算并存储。但运行脚本前，需将脚本中的对应占位符替换为本地安装JCMsuite与JCMoptimizer的路径。可获取免费试用许可证，详情请参阅JCMwave与JCMoptimizer的官方主页。脚本名称与对应插图一一对应。需注意，figure05.zip文件体积较大，因其包含了有限元阶数p=1至4的所有共振模式（N=16），涵盖有无品质因数(Q-factor)约束的两类优化场景。 依赖环境 JCMsuite（经6.4.8版本测试） JCMoptimizer（经2.0.5版本测试） MATLAB（经R2023b版本测试） 内存需求 针对图4(b)中的收敛曲线，需计算不同有限元阶数p下的共振问题，所需内存如下： p = 1: 4.3 GB（精度不足） p = 2: 44.6 GB p = 3: 266.0 GB p = 4: 1250.4 GB 致谢 本研究感谢以下机构的资助：德国研究基金会（Deutsche Forschungsgemeinschaft, DFG），其资助来自德国卓越战略计划——柏林数学研究中心MATH+（项目编号：EXC-2046/1，项目ID：390685689）；德国联邦研究、技术与空间部（BMFTR），资助项目为MODAL研究园区（项目编号：05M20ZBM）；柏林参议院，其通过由欧洲区域发展基金（European Regional Development Fund, ERDF，申请编号：0206824，项目SQALE）共同资助的研究、创新与技术促进计划（ProFIT）提供资助；欧洲研究理事会（European Research Council, ERC），资助编号为ERC-StG "TuneTMD"（项目编号：101076437）；以及维卢姆基金会（Villum Foundation，资助编号：VIL53033）。