News

 

People currently working in our group:

Claudia Draxl
Benedikt Maurer
Hannah Kleine
Olga Turkina
Pasquale Pavone
Santiago Rigamonti
Sven Lubeck
Tim Bechtel
Konstantin Lion
Martin Kuban
Sebastian Tillack
Axel Hübner
Daniel Speckhard
Mao Yang
Cecilia Vona
Simon Gabaj
Peter Weber
Ignacio Gonzalez
Fabian Peschel
Lu Qiao
Nakib Protik
Manoar Hossain
Manish Kumar
Mara Voiculescu
Elisa Stephan
Adam Newton
  • Claudia Draxl
  • Benedikt Maurer
  • Hannah Kleine
  • Olga Turkina
  • Pasquale Pavone
  • Santiago Rigamonti
  • Sven Lubeck
  • Tim Bechtel
  • Konstantin Lion
  • Martin Kuban
  • Sebastian Tillack
  • Axel Hübner
  • Daniel Speckhard
  • Mao Yang
  • Cecilia Vona
  • Simon Gabaj
  • Peter Weber
  • Ignacio Gonzalez
  • Fabian Peschel
  • Lu Qiao
  • Nakib Protik
  • Manoar Hossain
  • Manish Kumar
  • Mara Voiculescu
  • Elisa Stephan
  • Adam Newton

Research

Our research interests cover theorectical concepts and methodology, the development of computer codes, and their application to answer questions related to a variety of materials and their properties.

We mainly deal with all-electron full-potential methods of density-functional theory (DFT), in particular the (linearized) augmented planewave + local orbital (L)APW+lo method as implemented in the exciting package that is developed in the group.

A particular focus of the group concerns the quantum-based description of radiation-matter interaction. The underlying methodology is many-body perturbation theory and time-dependent DFT (TDDFT). Our approches of theoretical spectroscopy cover various types of excitations, like photoemission, optical and X-ray absorption, electron-loss spectroscopy, and Raman scattering. The latter connects to another core area that is electron-phonon coupling.

Selected third-party funded projects:

  • Collaborative Research Project HIOS (sfb 951)
  • Collaborative Research Project on Molecular Switches on Surfaces (sfb 658)
  • ETERNAL: Exploring Thermoelectric Properties of Novel Materials
  • MatSEC (Materials for Solar Energy Conversion): graduate school, HZB
  • Hybrid4Energy: joint graduate school of HU Berlin and HZB
  • NOMAD Laboratory (Novel Materials Discovery): EU Center of Excellence
  • INFORM