论文标题

量子模拟器模拟较低的分子结构

Quantum simulator to emulate lower dimensional molecular structure

论文作者

Sierda, E., Huang, X., Badrtdinov, D. I., Kiraly, B., Knol, E. J., Groenenboom, G. C., Katsnelson, M. I., Rösner, M., Wegner, D., Khajetoorians, A. A.

论文摘要

已经开发了自下而上的量子模拟器,以量化各种相互作用,维度和结构在创建物质电子状态中的作用。在这里,我们仅基于将个体原子定位在抗氨基胺表面上的固体量子模拟器模拟分子轨道。使用扫描隧道显微镜和光谱法与从头算的计算相结合,我们表明人工原子可以由由图案化的铯环产生的局部状态制成。这些人造原子是建立具有不同轨道对称性的人工分子结构的基础。这些相应的分子轨道使我们能够模拟2D结构,让人联想到众所周知的有机分子。该平台可以进一步用于监测原子结构之间的相互作用,并具有亚分子精度所得的分子轨道景观。

Bottom-up quantum simulators have been developed to quantify the role of various interactions, dimensionality, and structure in creating electronic states of matter. Here, we demonstrated a solid-state quantum simulator emulating molecular orbitals, based solely on positioning individual cesium atoms on an indium antimonide surface. Using scanning tunneling microscopy and spectroscopy, combined with ab initio calculations, we showed that artificial atoms could be made from localized states created from patterned cesium rings. These artificial atoms served as building blocks to realize artificial molecular structures with different orbital symmetries. These corresponding molecular orbitals allowed us to simulate 2D structures reminiscent of well known organic molecules. This platform could further be used to monitor the interplay between atomic structures and the resulting molecular orbital landscape with sub-molecular precision.

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