Discovering novel 2D materials for advanced heterostructures with tailored properties

20/02/2019 @ 11:00 AM – 12:00 PM Asia/Singapore Timezone
The Physics conference room,S11-02-07
Discovering novel 2D materials for advanced heterostructures with tailored properties @ The Physics conference room,S11-02-07

Speaker: Prof. Kristian Sommer Thygesen
Affiliation: Department of Physics, Technical University of Denmark, Denmark
Host: Professor Feng Yuan Ping
Location: Click HERE for directions

Abstract Details: The family of atomically thin two-dimensional (2D) materials, which started with graphene, has expanded rapidly over the past few years and now includes insulators, semiconductors, metals, ferromagnets, and superconductors. This development has prompted an explosion in envisioned applications ranging from batteries and catalysis to photovoltaics, electronics, and photonics. In parallel with this development, the possibility of stacking different 2D materials into van der Waals heterostructures has opened new routes for designing atomically flat heterostructures with tailored properties. I will show how the electronic and optical properties of 2D materials and their heterostructures can be accurately predicted by combining classical electrostatic models with many-body quantum mechanics, and high-performance computing. I will give examples from our recent research focusing on 2D structures with tunable band structures, excitons, and plasmons[1]. Finally, I will present our recent efforts to establish a comprehensive database of 2D materials using an automatic high-throughput framework ( and show how it can be used to identify 2D materials with interesting physical properties such as ferromagnetism and non-trivial topology[2].

[1] Calculating excitons, plasmons, and quasiparticles in 2D materials and van der Waals heterostructures, K. S. Thygesen, 2D Materials 4, 022004 (2017)

[2] The Computational 2D Materials Database: High-throughput modeling and discovery of atomically thin crystals, S. Haastrup et al. 2D Materials 5, 042002 (2018)

About the Speaker: Prof. Kristian S. Thygesen earned his PhD degree in Physics from the Technical University of Denmark (DTU) in 2005. After a post doctoral position at Freie University Berlin he returned to DTU where he became Associate Professor in 2010 and leader of the Molecular Electronics group at the Lundbeck Foundation’s Center for Atomic-scale Materials Design (CAMD). He was Director of NanoDTU from 2009-2010 and has been Spokesperson for Psi-k working group on Quantum Transport in Nanostructures since 2009. In 2013 he became Professor at the Department of Physics at DTU and in 2015 he became leader of the Section for Computational Atomic-scale Materials Design.
Recently, his research focuses on the development of first-principles methods for the description of ground- and excited state properties of solids and low-dimensional systems. He co-develops the GPAW electronic structure code, and the Computational Materials Repository (, holds the ERC grant LIMA, and is member of th Center for Nanostructured Graphene ( and the Center for Novel Materials Discovery (