Quantum simulator to emulate lower dimensional molecular structure

TL;DR

This paper presents a solid-state quantum simulator that uses precisely positioned cesium atoms on a surface to emulate molecular orbitals and structures, enabling detailed study of molecular electronic states.

Contribution

It introduces a novel platform combining scanning tunneling microscopy and ab initio calculations to create and analyze artificial molecular structures from localized atomic states.

Findings

Artificial atoms created from cesium rings exhibit localized states.

Artificial molecular structures with different orbital symmetries were realized.

The platform enables sub-molecular precision in studying atomic and molecular orbital interactions.

Abstract

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.