Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR parameters of the dangling bond defect in crystalline and amorphous silion: A DFT-study. DPG spring meeting 2011, Dresden, Germany (2011)
Freysoldt, C.: Fully ab initio finite-size corrections for electrostatic artifacts in charged-defect supercell calculations. Psi-k Conference 2010, Berlin, Germany (2010)
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Charged defects in the supercell approach. Seminar at Duisburg University, Duisburg, Germany (2010)
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Charged defects in the supercell approach. Seminar at Fritz-Haber-Institut der MPG, Berlin, Germany (2010)
Freysoldt, C.; Neugebauer, J.: Fully ab initio finite size corrections for charged defects in the supercell approach. APS march meeting, Portland, OR, USA (2010)
Mitra, C.; Freysoldt, C.; Neugebauer, J.: Band alignment in the framework of GW theory. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: Ab initio investigations of the silicon dangling bond. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
Freysoldt, C.; Neugebauer, J.: Theory of defect distribution at semiconductor interfaces based on ab-initio thermodynamics. MRS Fall Meeting, Boston, MA, USA (2009)
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)
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one. With this project, we aim to…
Atom probe tomography (APT) provides three dimensional(3D) chemical mapping of materials at sub nanometer spatial resolution. In this project, we develop machine-learning tools to facilitate the microstructure analysis of APT data sets in a well-controlled way.
Atom probe tomography (APT) is one of the MPIE’s key experiments for understanding the interplay of chemical composition in very complex microstructures down to the level of individual atoms. In APT, a needle-shaped specimen (tip diameter ≈100nm) is prepared from the material of interest and subjected to a high voltage. Additional voltage or laser…
Ever since the discovery of electricity, chemical reactions occurring at the interface between a solid electrode and an aqueous solution have aroused great scientific interest, not least by the opportunity to influence and control the reactions by applying a voltage across the interface. Our current textbook knowledge is mostly based on mesoscopic…