Publications of C. Freysoldt

Lange, B.; Freysoldt, C.; Neugebauer, J.: Point-defect energetics from LDA, PBE, and HSE: Different functionals, different energetics? 1.st Austrian/German Workshop on Computational Materials Design, Kramsach, Tyrol, Austria (2012)

Freysoldt, C.; Pfanner, G.; Neugebauer, J.: The dangling-bond defect in amorphous silicon: Insights from theoretical calculations of the EPR parameters. Workshop on Advanced EPR for material and solar energy research, Berlin, Germany (2011)

Freysoldt, C.; Pfanner, G.; Neugebauer, J.: The Dangling-Bond Defect in Amorphous Silicon: Statistical Random Versus Kinetically Driven Defect Geometries. 24th International Conference on Amorphous and Nanocrystalline Semiconductors (ICANS 24), Nara, Japan (2011)

Fehr, M.; Schnegg, A.; Teutloff, C.; Bittl, R.; Astakhov, O.; Finger, F.; Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Rech, B. et al.; Lips, K.: A Detailed Investigation of Native and Light-induced Defects in Hydrogenated Amorphous Silicon by Electron-spin Resonance. MRS Spring Meeting and Exhibit 2011, San Francisco, CA, USA (2011)

Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR parameters of the dangling bond defect in crystalline and amorphous silion: A DFT-study. APS march meeting 2011, Dallas, TX, USA (2011)

Freysoldt, C.; Mitra, C.; Neugebauer, J.: Quasiparticle band offsets at heterojunctions from GW superlattice calculations. DPG Frühjahrstagung 2011, Dresden, Germany (2011)

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.; Lange, B.; Neugebauer, J.: Defect distributions at III-nitride interfaces from ab-initio-based thermodynamic data. DPG spring meeting, Regensburg, Germany (2010)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing fully numerical, quantitatively optimized atomic orbitals basis-sets. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Pfanner, G.; Freysoldt, C.; Neugebauer, J.: A theoretical study of hyperfine parameters in amorphous silicon. DPG Frühjahrstagung 2010, Regensburg, 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)

Freysoldt, C.: PAW implementation in S/PHI/nX. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Fully numerical orbitals as an analyzable Tight Binding Basis Set. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (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)