Publications of J. Neugebauer

Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio concepts for an efficient and accurate determination of thermodynamic properties up to the melting point. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Hamidi Siboni, N.; Hickel, T.; Friák, M.; Raabe, D.; Neugebauer, J.: Effect of interstitials on vacancy formation and mobility in metals. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing optimized atomic basis-sets with PW accuracy. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Combined ab initio studies and kinetic Monte Carlo simulations of nano-precipitation in ferritic steels. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

von Pezold, J.; Dick, A.; Firák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. Multiscale Materials Modeling, Freiburg, Germany (2010)

Dick, A.; Neugebauer, J.: Surface magnetism at Mn₃N₂ (010) surfaces at the atomic scale: First-principles description of the spin-polarized scanning tunneling microscopy experiments. 448. WE-Heraeus-Seminar "Excitement in magnetism", Ringberg Castle, Tegernsee, Germany (2009)

Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: First principles study of the alpha-iron stability limits. 448. Wilhelm und Else Heraeus-Seminar "Excitement in magnetism: Spin-dependent scattering and coupling of excitations in ferromagnets", Tegernsee, Ringberg, Germany (2009)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Magnetic contributions to the Thermodynamics of iron and Cementite. 448. WE-Heraeus-Seminar "Excitement in magnetism", Ringberg Castle, Tegernsee, Germany (2009)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Magnetic contributions to the free energy of iron. ICAMS Scientific and Industrial Advisory Board Meeting, Bochum, Germany (2009)

Abu-Farsakh, H.; Neugebauer, J.: Combined ab-initio and Monte Carlo calculations to explore the surface thermodynamics and kinetics of dilute nitrides. 8th International Conference on Nitride Semiconductors (ICNS-8), Jeju Island, South Korea (2009)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Role of the parasitic Mg₃N₂ phase in post-groth activation of p-doped Mg:GaN. ICNS-8, Jeju Island, South Korea (2009)

Tillak, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio study of nano-precipitate nucleation and growth in ferritic steels. Ab Initio Description of Iron and Steel, Tegernsee, Germany (2009)

Dick, A.; Yang, R.; Smith, A. R.; Neugebauer, J.: Surface magnetism at the atomic scale: An ab initio analysis of spin-polarized scanning tunneling microscopy. International workshop "Ab initio Description of Iron and Steel (ADIS2006), Ringberg Castle, Germany (2009)

Friak, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Theory-guided design of Ti–Nb alloys for biomedical applications. 1st International Conference on Material Modelling, Dortmund, Germany (2009)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Role of the parasitic Mg₃N₂ phase in post-growth activation of p-doped Mg:GaN. CECAM Workshop 09: Which Electronic Structure Method for the Study of Defects?, CECAM-HQ-EPFL, Lausanne, Switzerland (2009)

Abu-Farsakh, H.; Neugebauer, J.: The role of surface kinetics in achieving high non-equilibrium N concentrations in bulk GaAs. DPG Spring Meeting 2009, Dresden, Germany (2009)

Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)

Hickel, T.; Uijttewaal, M.; Grabowski, B.; Lencer, D.; Neugebauer, J.: First principles determination of structural phase transitions in smart materials. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)

Lencer, D.; Salinga, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Wuttig, M.: A Treasure Map for Phase-Change Materials. DPG Spring Meeting 2009, Dresden, Germany (2009)