Publications of J. Neugebauer

Dutta, B.; Hickel, T.; Neugebauer, J.: Ab-initio based prediction of chemical trends for phase transitions in magnetic shape memory alloys. Computation meets Experiment: KKR Green functions for calculations of spectroscopic, transport and magnetic properties, Department of Physics, University of Warwick, Warwick, Coventry, UK (2013)

Todorova, M.; Neugebauer, J.: Electrochemical Pourbaix phase diagrams from ab initio calculations. XLII CALPHAD Conference, San Sebastian, Spain (2013)

Cheng, S.-T.; Todorova, M.; Neugebauer, J.: Interactions of oxidizing species with the Mg(0001) surface: The role of electrostatic contributions. Connecting electrochemical and water simulations: Status and future challenges, Ringberg, Germany (2013)

Todorova, M.; Neugebauer, J.: Extending the concept of semiconductor defect chemistry to electrochemistry. Connecting electrochemical and water simulations: Status and future challenges, Ringberg, Germany (2013)

Bleskov, I.; Sandlöbes, S.; Hickel, T.; Neugebauer, J.: Stacking Faults in fcc Iron: The Influence of Magnetism. DPG spring meeting 2013, Regensburg, Germany (2013)

Todorova, M.; Neugebauer, J.: Extending the concept of semiconductor defect chemistry to electrochemistry. Workshop "Connecting electrochemical and water simulations: Status and future challenges", San Sebastian, Spain (2013)

Nematollahi, A.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Carbon diffusion path around edge dislocation in bcc iron. 10th Materials Day, Bochum, Germany (2012)

Remmele, T.; Schulz, T.; Markurt, T.; Korytov, M.; Albrecht, M.; Duff, A.; Lymperakis, L.; Neugebauer, J.: Quantitative measurement of composition fluctuations in InGaN quantum wells. 15th European Microscopy Congress, Manchester Central, UK (2012)

Haghighat, S. M. H.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Mobility of the ½ a₀<111> screw dislocation in iron under different loading conditions. 4th International Conference on Dislocations, Budapest, Hungary (2012)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron. Calphad XLI, Berkely, CA, USA (2012)

Kalesaki, E.; Kioseoglou, J.; Lymperakis, L.; Neugebauer, J.; Karakostas, T.; Komninou, P.: Semipolar {11-22} AlN surfaces: Morphology and electronic properties. International Conference on Extended Defects in Semiconductors, Thessaloniki, Greek (2012)

Aydin, U.; Hickel, T.; Neugebauer, J.: Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals. ADIS Conference 2012, Ringberg, Germany (2012)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron. ADIS Conference 2012, Ringberg, Germany (2012)

Aydin, U.; Hickel, T.; Neugebauer, J.: Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals. DPG Frühjahrstagung 2012, Berlin, Germany (2012)

Bauer, K.-D.; Todorova, M.; Hingerl, K.; Neugebauer, J.: Ab-initio Study on Liquid Metal Embrittlement in the Fe/Zn System. International Workshop on Ab initio Description of Iron and Steel (ADIS2012), Ringberg, Germany (2012)

Bleskov, I.; Abbasi, A.; Dick, A.; Hickel, T.; Neugebauer, J.: Ab initio investigation of the stacking fault in Fe-based alloys. ADIS 2012: Ab initio Description of Iron and Steel, Ringberg, Germany (2012)

Dutta, B.; Hickel, T.; Al-Zubi, A.; Neugebauer, J.: Prediction of chemical trends in the phase diagrams of magnetic shape memory alloys from first-principles calculations. International Workshop on Ab initio Description of Iron and Steel (ADIS2012), Ringberg, Germany (2012)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: New insights into anharmonicity. ADIS 2012: Ab initio Description of Iron and Steel, Ringberg, Germany (2012)

Haghighat, S. M. H.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Competitive glide of edge and screw dislocation in bcc-Fe. 1st Austrian-German Workshop on Computational Materials Design, Kramsach, Austria (2012)

Nematollahi, A.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Thermodynamic and kinetic effects of elastic strain on the decomposition of cementite in wire-draw pearlitic steel. International scientific seminar: Ab-initio description of iron and steel thermodynamics and kinetics, Ringberg Castle, Tegernsee, Germany (2012)