用强化学习自动搭建原子级人工晶格,实现精准电子态设计。
Automated Construction of Artificial Lattice Structures with Designer Electronic States
- 结合深度检测与线性分配,自动定位并搬运CO分子
- 成功构建扩展的人工石墨烯晶格,验证了狄拉克点存在
- 大幅减少人工干预,支持更大尺度结构可扩展制造
利用扫描隧道显微镜(STM)操控原子级人工结构可实现定制量子态。但操作耗时且探针敏感,限制了构型探索和结构规模。本文提出基于强化学习(RL)的框架,在铜基底上通过空间操控一氧化碳(CO)分子构建人工结构。自动化流程结合深度学习目标检测定位分子,并采用线性分配算法将分子指派至目标位点。初始阶段通过随机参数采样(包括偏置电压、隧穿电流设定值和操纵速度)生成数据集,构建动作轨迹用于训练RL代理。随后模型部署于STM,实现实时调节操纵参数。结合路径规划与主动漂移补偿,实现低人工介入的原子精度制造,成功构建大尺度人工石墨烯晶格,并确认其电子结构中存在特征狄拉克点。进一步讨论了基于强化学习的结构组装可扩展性挑战。
原文摘要 · Abstract (English)
Manipulating matter with a scanning tunneling microscope (STM) enables creation of atomically defined artificial structures that host designer quantum states. However, the time-consuming nature of the manipulation process, coupled with the sensitivity of the STM tip, constrains the exploration of diverse configurations and limits the size of designed features. In this study, we present a reinforcement learning (RL)-based framework for creating artificial structures by spatially manipulating carbon monoxide (CO) molecules on a copper substrate using the STM tip. The automated workflow combines molecule detection and manipulation, employing deep learning-based object detection to locate CO molecules and linear assignment algorithms to allocate these molecules to designated target sites. We initially perform molecule maneuvering based on randomized parameter sampling for sample bias, tunneling current setpoint and manipulation speed. This dataset is then structured into an action trajectory used to train an RL agent. The model is subsequently deployed on the STM for real-time fine-tuning of manipulation parameters during structure construction. Our approach incorporates path planning protocols coupled with active drift compensation to enable atomically precise fabrication of structures with significantly reduced human input while realizing larger-scale artificial lattices with desired electronic properties. Using our approach, we demonstrate the automated construction of an extended artificial graphene lattice and confirm the existence of characteristic Dirac point in its electronic structure. Further challenges to RL-based structural assembly scalability are discussed.
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