Publications from the Defect Chemistry and Spectroscopy group

Lee, S.; Freysoldt, C.; Neugebauer, J.: Ordering phenomena and formation of nanostructures in In_xGa_1−xN layers coherently grown on GaN(0001). Physical Review B 90 (24), 245301 (2014)

Marquardt, O.; Boeck, S.; Freysoldt, C.; Hickel, T.; Schulz, S.; Neugebauer, J.; O'Reilly, E. P.: A generalized plane-wave formulation of k · p formalism and continuum-elasticity approach to elastic and electronic properties of semiconductor nanostructures. Computational Materials Science 95, pp. 280 - 287 (2014)

Cheng, S.-T.; Todorova, M.; Freysoldt, C.; Neugebauer, J.: Negatively charged ions on Mg(0001) surfaces: Appearance and origin of attractive adsorbate-adsorbate interactions. Physical Review Letters 113 (13), 136102 (2014)

Freysoldt, C.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Kresse, G.; Janotti, A.; Van de Walle, C. G.: First-principles calculations for point defects in solids. Reviews of Modern Physics 86 (1), 253 (2014)

Freysoldt, C.: Die S/PHI/nX-Klassenbibliothek - HPC-Programmierung für Physiker. Workshop "High-performance computing und datengetriebene Anwendungen in der MPG , Ringberg, Germany (2014)

Freysoldt, C.; Neugebauer, J.: Point defects in supercells: Correction schemes for the dilute limit. Workshop on Ab-initio description of charged systems and solid/liquid interfaces , Santa Barbara, CA, USA (2014)

Freysoldt, C.; Pfanner, G.; Neugebauer, J.: Role of the defect creation strategy for modelling dangling bonds in a-Si:H. MRS Spring Meeting, San Francisco, CA, USA (2014)

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)