Research

Theory of correlated quantum materials

The Hubbard model is one of the most important concepts for correlated quantum materials, a simple set of rules that helps us understand how electrons behave when they strongly interact with each other. Even though the model looks simple on paper, it can give rise to incredibly rich behaviour, including magnetism and superconductivity, and can describe a wide range of real quantum materials.

In our research, we explore how the single-particle electronic structure (t), a quantity that describes how electrons move within a system, can control the collective behaviour of electrons when in the presence of strong electron-electron interactions. For example to identify the conditions required to stabilise unconventional superconductivity.

We explore a wide range of phenomena associated with this model, from self energy interactions, influence of Hunds coupling and non-local interactions, importance of fermiology. As well as develop methods to map these parameters to material specific models that can be used to understand real materials.

Correlated ground states predicted from Truncated Unity Functional Renormalisation group theory (TUFRG) for a model of Sr2RuO4 as a function of Coloumb repulsion (U) and Hunds Coupling (J). PRR,6,043057,(2024)

Structural control of correlated phases

Utilising a combination of ab-initio methods and functional renormalisation group theory techniques, we aim to identify structural routes to manipulate and control the correlated ground state of real quantum materials.

We use a variety of computational methods to study correlated quantum materials, including density functional theory (VASP or Quantum Espresso) to get an approximation for the single-particle electronic structure, as well as understand how subtle structural details influence the electronic properties incorporating chemical bonding effects which are important to understand the electronic and superconducting properties of materials under pressure as well as surfaces and interfaces.

Density functional theory predicted structural transition of La3Ni2O7 under hydrostatic pressure. Importantly the blue region is known to stabilise an 80K superconducting ground state.
PRM,8,044801 (2024)

Theory of experimental measurements on correlated quantum materials

Experimental measurements are the best way to understand quantum materials. However, sometimes the data that is measured is obscured by complex processes and experimental artifacts. Understanding these artifacts allows us to extract deeper insight into correlated quantum materials and unlocks a closer, quantitative comparison between theory and experiment.

We closely interface with experimental methods in the study of correlated quantum materials, in particular, work on developing new methods to simulate and understand experimental measurements, in particular Angle-resolved photoemission spectroscopy and Scanning tunnelling microscopy, see, for example, the open-source software CalcQPI (https://scipost.org/SciPostPhysCodeb.61).

Fourier transform of the Quasiparticle intereference pattern predicted for twisted bilayer graphene (with a 9.43o rigid rotation) and a monolayer graphene. PRB,111,L121403 (2025)

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