Freysoldt, C.; Neugebauer, J.: Calculation of defect distribution at interfaces from ab-initio-based thermodynamic data. MRS Fall Meeting, Boston, MA, USA (2009)
Lange, B.; Freysoldt, C.; Neugebauer, J.: Highly p-doped GaN:Mg! What hinders the thermal drive-out of hydrogen? 2. Klausurtagung des Graduierten Kollegs: Mikro und Nanostrukturen in der Optoelektronik, Bad Karlshafen, Germany (2009)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: What can EPR hyperfine parameters tell about the Si dangling bond? - A theoretical study. International conference on amorphous and nanoporous semiconductors (ICANS) 23, Utrecht, Netherlands (2009)
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Fully ab initio supercell corrections for charged defects. CECAM workshop "Which Electronic Structure Method for the Study of Defects?", Lausanne, Switzerland (2009)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: What can EPR hyperfine parameters tell about the Si dangling bond? - A theoretical viewpoint. 1st International Workshop on the Staebler-Wronski effect, Berlin, Germany (2009)
Lange, B.; Freysoldt, C.; Neugebauer, J.: Role of the parasitic Mg3N2 phase in post-growth activation of p-doped Mg:GaN. DPG Frühjahrstagung, TU Dresden, Germany (2009)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: Ab-initio calculations of hyperfine parameters for various Si-dangling bond models. DPG spring meeting, TU Dresden, Germany (2009)
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Fully ab initio supercell corrections for charged defects. APS march meeting, Pittsburgh, PA, USA (2009)
Freysoldt, C.; Neugebauer, J.: Charged defects in a supercell formalism: From an empirical to a fully ab-initio treatment of finite-size effects. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Koprek, A.; Cojocaru-Mirédin, O.; Freysoldt, C.; Würz, R.; Raabe, D.: Atomic scale investigation of the p-n Junction in CIGS based solar cells: correlation between cell efficiency and impurities. E-MRS 2014, Lille, France (2014)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Gerstmann, U.: Ab initio EPR parameters for dangling-bond defect complexes in crystalle silion: The role of the Jahn-Teller distortion. Workshop on Advanced EPR for material and solar energy research, Berlin, Germany (2011)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR parameters of the dangling bond defect in crystalline and amorphous silicon: A DFT-study. Euromat 2011, Montpellier, France (2011)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR parameters of the dangling bond defect in crystalline and amorphous silicon: A DFT-study. MultiScale Modelling of Amorphous Materials: From Structure to Mechanical Properties, Dublin, Ireland (2011)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR hyperfine tensors of the dangling bond defect in crystalline and amorphous silicon. Psi-k Conference 2010, Berlin, Germany (2010)
In this project, we aim to achieve an atomic scale understanding about the structure and phase transformation process in the dual-phase high-entropy alloys (HEAs) with transformation induced plasticity (TRIP) effect. Aberration-corrected scanning transmission electron microscopy (TEM) techniques are being applied ...
Femtosecond laser pulse sequences offer a way to explore the ultrafast dynamics of charge density waves. Designing specific pulse sequences may allow us to guide the system's trajectory through the potential energy surface and achieve precise control over processes at surfaces.
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 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.
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.