Duff, A.; Lymperakis, L.; Neugebauer, J.: Ab-initio based comparitive study of In incorporation and surface segregation on III- and N-face {0001} InGaN surfaces. SINOPLE mid-term meeting, Berlin, Germany (2011)
Kalesaki, E.; Lymperakis, L.; Kioseoglou, J.; Komninou, P.; Karakostas, T.: Surface Thermodynamics of (11-22) and (11-2-2) Semipolar AlN Surfaces. International Workshop on Nitride Semiconductors, Tampa, FL, USA (2010)
von Pezold, J.; Lymperakis, L.; Neugebauer, J.: A multiscale study of the Hydrogen enhanced local plasticity (HELP) mechanism. IWoM3 2009 - International Workshop on Multiscale Materials Modeling, Berlin, Germany (2009)
Petrov, M.; Friák, M.; Lymperakis, L.; Neugebauer, J.; Raabe, D.: Hardness anisotropy of crystalline alpha-chitin: An ab-initio based conformational analysis. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
Petrov, M.; Friák, M.; Lymperakis, L.; Neugebauer, J.; Raabe, D.: An ab-initio study of hardness anisotropy of crystalline alpha-chitin. International Max-Planck Workshop on Multiscale Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
Lymperakis, L.; Neugebauer, J.: Exploring the 5D configurational space of grain boundaries in aluminun: An ab-initio based multiscale analysis. MRS Fall Meeting, Boston, MA, USA (2006)
Lymperakis, L.; Neugebauer, J.: Ab-initio based multiscale calculations of low-angle grain boundaries in Aluminium. Materials Research Society fall meeting, Boston, MA, USA (2005)
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.