Rare earth crystals are studied for a variety of quantum technology applications, including as quantum memories, quantum light sources, and quantum transducers (a "quantum modem" for solid-state quantum computers). The performance of a material for a particular application is typically dependent on quantum properties like transition lifetimes and quantum coherence times or the sensitivity of transitions to stress, temperature, and electric or magnetic fields. Currently, these properties can only be measured experimentally, since accurate theoretical models do not exist for such complex, heavy atoms, which has slowed progress in the field and limited the range of crystals studied.

Recently, quantum chemistry methods have shown success in accurately modelling the electronic structure of rare earth molecules. In this project, we will extend these methods to crystals and investigate whether they can accurately capture the small perturbations that determine quantum properties.

A variety of projects are possible with either a chemistry, physics, or spectroscopy focus. While most projects will be theoretical, there is some scope for experimental optical spectroscopy. 

Students will gain skills in quantum chemistry methods and solid-state and atomic physics. The project also provides experience linking fundamental quantum theory to numerical models and experimental data, preparing students for advanced research in quantum information science or computational materials physics.

This project is co-supervised by Prof. Nick Chilton at the Research School of Chemistry

Students should have completed either Chem2210 Structure Elucidation in Chemistry or Phys2013 Quantum Mechanics, or equivalent courses. For higher-level projects, additional experience in quantum physics, solid state physics, or computational chemistry will be beneficial.