University of Bath

Theoretical and computational nanoscience

We are interested in modelling the electronic band structure, localised states and lattice dynamics of nanoscale materials.

Constant energy surfaces of the valence band maximum in rhenium diselenide
Constant energy surfaces of the valence band maximum in rhenium diselenide

We use analytical and computational approaches to investigate the electronic band structure, localised states, lattice dynamics and photonics of nanoscale materials. This enables us to understand and interpret experimental probes of nanomaterials that we are using (SPM, ARPES, charge transport, Raman, optical spectroscopy) and helps us predict emerging new phenomena in nanoscale materials. These can appear, for example, where different two-dimensional materials are combined in layered heterostructures or where defects, impurities or doping are manipulated.

Relevant group members

Wider interests in theoretical and computational physics are represented by the Theoretical and Computational Physics group in the Department of Physics; most of the above people are also members of that group.