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Journal Article (30)

  1. 21.
    Journal Article
    Fehr, M.; Schnegg, A.; Rech, B.; Lips, K.; Astakhov, O.; Finger, F.; Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Bittl, R. et al.; Teutloff, C.: Combined multifrequency EPR and DFT study of dangling bonds in a-Si:H. Physical Review B 84, 245203, pp. 1 - 10 (2011)
  2. 22.
    Journal Article
    Mitra, C.; Lange, B.; Freysoldt, C.: Quasiparticle band offsets of semiconductor heterojunctions from a generalized marker method. Physical Review B 84 (19), 193304, pp. 1 - 4 (2011)
  3. 23.
    Journal Article
    Lange, B.; Freysoldt, C.; Neugebauer, J.: Construction and performance of fully numerical optimum atomic basis sets. Physical Review B 84 (8), 085101, pp. 1 - 11 (2011)
  4. 24.
    Journal Article
    Pfanner, G.; Freysoldt, C.; Neugebauer, J.: Ab initio study of electron paramagnetic resonance hyperfine structure of the silicon dangling bond: Role of the local environment. Physical Review B 83 (14), 144110, pp. 1 - 8 (2011)
  5. 25.
    Journal Article
    Boeck, S.; Freysoldt, C.; Dick, A.; Ismer, L.; Neugebauer, J.: The object-oriented DFT program library S/PHI/nX. Computer Physics Communications 182 (3), pp. 543 - 554 (2011)
  6. 26.
    Journal Article
    Lange, B.; Freysoldt, C.; Neugebauer, J.: Native and hydrogen-containing point defects in Mg3N2: A density functional theory study. Physical Review B 81, 224109, pp. 1 - 10 (2010)
  7. 27.
    Journal Article
    Marquardt, O.; Boeck, S.; Freysoldt, C.; Hickel, T.; Neugebauer, J.: Plane-wave implementation of the real-space k.p formalism and continuum elasticity theory. Computer Physics Communications 181 (4), pp. 765 - 771 (2010)
  8. 28.
    Journal Article
    Freysoldt, C.; Boeck, S.; Neugebauer, J.: Direct minimization technique for metals in density-functional theory. Physical Review B 79, 241103(R), pp. 1 - 4 (2009)
  9. 29.
    Journal Article
    Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Fully ab initio finite-size corrections for charged defect supercell calculations. Physical Review Letters 102 (1), 016402 (2009)
  10. 30.
    Journal Article
    Rinke, P.; Qteish, A.; Neugebauer, J.; Freysoldt, C.; Scheffler, M.: Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound seminconductors. New Journal of Physics 7, pp. 126 - 160 (2005)

Conference Paper (3)

  1. 31.
    Conference Paper
    Koprek, A.; Cojocaru-Mirédin, O.; Würz, R.; Freysoldt, C.; Raabe, D.: Cd and impurity redistribution at the p-n junction of CIGS based solar cells resolved by atom-probe tomography. In: Photovoltaic Specialist Conference (PVSC), pp. 1 - 6 (Ed. IEEE ). Photovoltaic Specialist Conference (PVSC), 2015 IEEE 42nd , New Orleans, LA, USA, June 14, 2015 - June 19, 2015. (2015)
  2. 32.
    Conference Paper
    Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Electrostatic interactions between charged defects in supercells. CECAM Workshop, Lausanne, Switzerland, June 08, 2009 - June 10, 2009. Physica Status Solidi B 248 (5), pp. 1067 - 1076 (2011)
  3. 33.
    Conference Paper
    Marquardt, O.; Schulz, S.; O’Reilly, E. P.; Freysoldt, C.; Boeck, S.; Hickel, T.; Neugebauer, J.: A flexible, plane-wave-based formulation of continuum elasticity and multiband k.p models. 11th Intern. Conference on Numerical Simulation of Optoelectronic Devices, Rome, Italy, September 05, 2011 - September 08, 2011., (2011)

Talk (57)

  1. 34.
    Talk
    Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Kontis, P.; Wu, X.; Freysoldt, C.; Neugebauer, J. et al.; Gault, B.: Chemistry at Lattice Defects Probed at Atomic Scale. The 53rd Annual Meeting of the Israel Society for Microscopy, Tel Aviv, Israel, Tel Aviv, Israel (2019)
  2. 35.
    Talk
    Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Kontis, P.; Wu, X.; Freysoldt, C.; Neugebauer, J. et al.; Gault, B.: Interaction of Chemistry and Structure at Lattice Defects at Atomic Scale. Russell Berrie Nanotechnology Institute, Technion, Haifa, Israel, Haifa, Israel (2019)
  3. 36.
    Talk
    Raabe, D.; Katnagallu, S.; Stephenson, L.; Balachandran, S.; Freysoldt, C.; Neugebauer, J.; Gault, B.: Imaging single vacancies and atoms using joint FIM and APT experiments. Conference on Possibilities and Limitations of Quantitative Materials Modeling and Characterization, Bernkastel-Kues, Germany (2019)
  4. 37.
    Talk
    Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Freysoldt, C.; Neugebauer, J.; Gault, B.: Chemistry and Structure of Lattice Defects. Physics Colloquium, Faculty of Physics, University Duisburg-Essen, Duisburg, Germany (2019)
  5. 38.
    Talk
    Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Katnagallu, S.; Stephenson, L.; Freysoldt, C.; Diehl, M.; Liebscher, C.; Kamachali, R. D.; Zaefferer, S. et al.; Neugebauer, J.; Sandlöbes, S.; Gault, B.; Scheu, C.; Roters, F.: From Atomistic Understanding to Engineering Design of Advanced Medium and High Manganese Steels. 4th International Conference on medium and high Manganese steels, Aachen, Germany (2019)
  6. 39.
    Talk
    Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Kontis, P.; Wu, X.; Freysoldt, C.; Neugebauer, J. et al.; Gault, B.: Segregation and Transformation at Lattice Defects as Microstructure Design Toolbox. Materials Science and Engineering Congress, Darmstadt, Germany (2018)
  7. 40.
    Talk
    Freysoldt, C.: Density-functional modelling of field evaporation. Atom probe tomography and microscopy conference 2018, Gaithersburg, MD, USA (2018)
 
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