Wahn, M.; Neugebauer, J.: Generalized Wannier functions: An efficient way to construct ab-initio tight-binding parameters for group-III nitrides. Physica Status Solidi B: Basic Research 243, 7, pp. 1583 - 1587 (2006)
Marquardt, O.; Wahn, M.; Lymperakis, L.; Hickel, T.; Neugebauer, J.: Implementation and application of a multi-scale approach to electronic properties of group III-nitride based semiconductor nanostructures. Workshop on Nitride Based Nanostructures, Berlin, Germany (2007)
Neugebauer, J.; Wahn, M.: Exact exchange within Kohn-Sham formalism. Standard and variational approach. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld (2006)
Wahn, M.; Neugebauer, J.: The Bandgaps of GaN and InN in Zinc-blende and Wurtzite Phase: DFT Calculations Using the Exact Exchange (EXX) Functional. Workshop Forschergruppe Bremen, Bad Bederkesa, Germany (2005)
Wahn, M.; Neugebauer, J.: Generalized Wannier functions: An accurate and efficient way to construct ab-initio tight-binding orbitals. DPG-Tagung, Berlin, Germany (2005)
Wahn, M.; Neugebauer, J.: Generalized Wannier Functions: An efficient way to construct ab-initio tight-binding orbitals for group-III nitrides. 6th International Conference on Nitride Semiconductors, Bremen, Germany (2005)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
The project HyWay aims to promote the design of advanced materials that maintain outstanding mechanical properties while mitigating the impact of hydrogen by developing flexible, efficient tools for multiscale material modelling and characterization. These efficient material assessment suites integrate data-driven approaches, advanced…
The segregation of impurity elements to grain boundaries largely affects interfacial properties and is a key parameter in understanding grain boundary (GB) embrittlement. Furthermore, segregation mechanisms strongly depend on the underlying atomic structure of GBs and the type of alloying element. Here, we utilize aberration-corrected scanning…
This project studies the influence of grain boundary chemistry on mechanical behaviour using state-of-the-art micromechanical testing systems. For this purpose, we use Cu-Ag as a model system and compare the mechanical response/deformation behaviour of pure Cu bicrystals to that of Ag segregated Cu bicrystals.
The aim of this project is to develop novel nanostructured Fe-Co-Ti-X (X = Si, Ge, Sn) compositionally complex alloys (CCAs) with adjustable magnetic properties by tailoring microstructure and phase constituents through compositional and process tuning. The key aspect of this work is to build a fundamental understanding of the correlation between…