PGI Kolloquium:Prof. Dr. Nicola Marzari, Ecole Polytechnique Fédérale de Lausanne (EPFL), Switzerland

PGI Lecture Hall, Building 04.8, 2nd Floor, Room 365

Adventures in Flatland

Abstract:

"Understand, predict, and design" has for a long time been the informal mission statement of our group; since occasionally we do follow through on this, I'll take the chance to illustrate this paradigm with case studies taken from the burgeoning field of 2D materials.

I'll discuss in particular the breakdown of the established but approximate picture of phonons being the heat carriers in crystals [1]; the engineering of Berry phases in nanostructures to create 1D electron and hole wires [2]; and our ongoing efforts to exfoliate all known 3D materials - this last made possible and straightforward by the development of our AiiDA materials' informatics platform [3].

References:

[1] A. Cepellotti and N. Marzari, Thermal transport in crystals as a kinetic theory of relaxons, arXiv:1603.02608 (2016).

[2] M. Gibertini, G. Pizzi, N. Marzari, Engineering polar discontinuities in honeycomb lattices,Nature Communications 5, 5157 (2014); M. Gibertini and N. Marzari, Emergence of one-dimensional wires of free carriers in transition-metal dichalcogenides nanostructures,
Nano Letters 15, 6229-38(2015).

[3] G. Pizzi et al., AiiDA: automated interactive infrastructure and database for computational science,Comp. Mat. Sci. 111, 218 (2016); http://aiida.net.

Kontakt

Gustav Bihlmayer

Telefon: +49 2461 61-4677

Fax:  +49 2461 61-2850

E-Mail: g.bihlmayer@fz-juelich.de