Martin-Luther-Universität Halle-Wittenberg


Manuela Bank-Zillmann

Telefon: +49 345 55-21004
Telefax: +49 345 55-27404

Universitätsplatz 8/9
06108 Halle


Zurück zur Übersicht

Nicola Marzari: The power of not thinking - Materials' discovery in the 21st century

Termin Donnerstag, 25. Januar 2018, 17.15 - 18.30 Uhr
Veranstaltungsart Kolloquium
Einrichtung Naturwissenschaftliche Fakultät III
Veranstalter Institut für Physik, Sonderforschungsbereich 762
Veranstaltungsort Leibniz-Institut für Agrarentwicklung in Transformationsökonomien
Straße Theodor-Lieser-Straße 2
PLZ/Ort 06120 Halle (Saale)
Ansprechpartner Michael Strauch
Telefon +49 345-5525449


Two-dimensional materials have seen in the past decade very dedicated experimental and theoretical efforts, in the quest for novel physics and functionalities. Here, we systematically explore with first-principles calculations all known inorganic materials, to identify those that could be exfoliated into two-dimensional layers.

We start by curating experimental materials databases, collecting reliable data for 110,000 unique compounds. Then, we identify those that appear layered according to simple geometric and bonding criteria, and launch high-throughput calculations – based on van-der-Waals density-functional theory – to characterize binding energies, stability, and properties. Remarkably, we find 2000 inorganic compounds that can be exfoliated into novel two-dimensional materials, and recover in the process all known ones – from graphene to transition-metal dichalcogenides to boron nitride and black phosporous.

I'll provide a perspective on the promising properties that we are uncovering – electronic, topological, optical – but will conclude on a more formal note, dedicated to the study of thermal transport in lower dimensions. Here, the great abundance of normal scattering processes leads to a hydrodynamic behaviour of the phonon gas, and to the failure of our common understanding of phonons being the individual carriers of heat.



zurück zur Übersicht

Zum Seitenanfang