Electronic structure

Theory Project: Charge Density Wave in Topological Materials

The goal of this project is to study the non-trivial topology of a semimetal in the presence of a charge density wave (CDW). We will seek for materials with non-trivial topology that undergo a CDW transition at low temperatures in order to obtain compounds whose topological properties can be controlled and tuned with temperature. For that purpose, the phase diagram of the candidate materials will be determined, explicitly calculating the CDW transition temperature by making use of the non-perturbative stochastic self-consistent harmonic approximation (SSCHA) method, which rigorously includes quantum and anharmonic effects , crucial in CDW systems. We will also study the symmetry of the system and band topology of electronic states as well as the gap functions when the CDW occurs.

Supervisor: Maia Garcia Vergniory.

Status: Closed.