BandITT - Band Interpolation and Topology Toolkit

Innovative materials represent a steppingstone for the development of new technologies: quite intriguing for applications is a class of materials, known as topological materials, which show the presence of exotic behaviour on their surfaces or edges. The most remarkable property is possibly the ability to conduct an electrical current on the samples edges without dissipation; the range of foreseeable applications of topological materials will therefore include electronics, surface catalysis and quantum computing. In this project we aim at developing a computer code that allows us to systematically explore materials. We suggest doing so by applying the rigorous framework of group theory: this is the mathematical theory of symmetries. In other, competitive, approaches this is generally sidestepped, by including symmetries implicitly in the description of the electronic states. We anticipate that our approach will facilitate the description of topological materials and the discovery of new materials with desired properties.