VP1 - Novel Materials Physics

In the Vertical project 1, Novel Materials Physics, we focus on the design of materials in which the fundamental physics and resulting functionalities are determined by strong interactions between individual electrons, or by new and emerging phenomena, such as topological properties of their band structures. As an additional challenge, the accurate description of these materials requires the development of methods by the Horizontal Project 3 that could also later be used in high-throughput material design. 

Group Leaders

Matthias Troyer
Project Leader
ETHZ, Zürich
Nicola Spaldin
Group leader
ETHZ, Zürich
Antoine Georges
Group leader
UniGE, Genève 4
Oleg Yazyev
Group leader
EPFL, Lausanne
Ulrich Aschauer
Group leader
UniBE, Bern

As early accomplishments for the first year, we have developed a software package to identify topological properties of materials and have identified ß-Bi4I4 as a strong Z2 topological insulator. We have identified a new mechanism for multiferroism close to room temperature in the class of layered rare earth barium iron copper oxide materials. We have assessed the effect of strain on the metal-insulator transition in LaVO3 and LaTiO3 and proposed a consistent theoretical description of the metal-insulator transition of nickelates. And, finally, we have made an ab initio design of a material whose Hamiltonian is that of the single-band Hubbard model and computed the resulting properties.