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)
In this project, we investigate the phase transformation and twinning mechanisms in a typical interstitial high-entropy alloy (iHEA) via in-situ and interrupted in-situ tensile testing ...
Solitonic excitations with topological properties in charge density waves may be used as information carriers in novel types of information processing.
In this project, links are being established between local chemical variation and the mechanical response of laser-processed metallic alloys and advanced materials.
In this project, we employ a metastability-engineering strategy to design bulk high-entropy alloys (HEAs) with multiple compositionally equivalent high-entropy phases.
Low dimensional electronic systems, featuring charge density waves and collective excitations, are highly interesting from a fundamental point of view. These systems support novel types of interfaces, such as phase boundaries between metals and charge density waves.
About 90% of all mechanical service failures are caused by fatigue. Avoiding fatigue failure requires addressing the wide knowledge gap regarding the micromechanical processes governing damage under cyclic loading, which may be fundamentally different from that under static loading. This is particularly true for deformation-induced martensitic…
In this project we conduct together with Dr. Sandlöbes at RWTH Aachen and the department of Prof. Neugebauer ab initio calculations for designing new Mg – Li alloys. Ab initio calculations can accurately predict basic structural, mechanical, and functional properties using only the atomic composition as a basis.
The wide tunability of the fundamental electronic bandgap by size control is a key attribute of semiconductor nanocrystals, enabling applications spanning from biomedical imaging to optoelectronic devices. At finite temperature, exciton-phonon interactions are shown to exhibit a strong impact on this fundamental property.