Publikationen von Jörg Neugebauer

Zeitschriftenartikel (314)

261.
Zeitschriftenartikel
Valtiner, M.; Todorova, M.; Neugebauer, J.: Hydrogen Adsorption on polar ZnO(0001)–Zn: Extending equilibrium surface phase diagrams to kinetically stabilized structures. Physical Review B 82 (16), 165418 (2010)
262.
Zeitschriftenartikel
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab Initio Guided Design of bcc Ternary Mg–Li–X (X=Ca,Al,Si,Zn,Cu) Alloys for Ultra-Lightweight Applications. Advanced Engineering Materials 12 (7), S. 572 - 576 (2010)
263.
Zeitschriftenartikel
Krein, R.; Friák, M.; Neugebauer, J.; Palm, M.; Heilmaier, M.: L21-ordered Fe–Al–Ti alloys. Intermetallics 18 (7), S. 1360 - 1364 (2010)
264.
Zeitschriftenartikel
Lange, B.; Freysoldt, C.; Neugebauer, J.: Native and hydrogen-containing point defects in Mg3N2: A density functional theory study. Physical Review B 81, 224109, S. 1 - 10 (2010)
265.
Zeitschriftenartikel
Friák, M.; Deges, J.; Krein, R.; Frommeyer, G.; Neugebauer, J.: Combined ab initio and experimental study of structural and elastic properties of Fe3Al-based ternaries. Intermetallics 18, S. 1310 - 1315 (2010)
266.
Zeitschriftenartikel
Friák, M.; Neugebauer, J.: Ab initio study of the anomalous volume-composition dependence. Intermetallics 18, S. 1316 - 1321 (2010)
267.
Zeitschriftenartikel
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Rescaled Monte Carlo approach for magnetic systems: Ab initio thermodynamics of bcc iron. Physical Review B 81 (13), S. 134425 - 134434 (2010)
268.
Zeitschriftenartikel
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), S. 765 - 771 (2010)
269.
Zeitschriftenartikel
Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio study on the solubility and kinetics of hydrogen in austenitic high Mn steels. (eingereicht)
270.
Zeitschriftenartikel
von Pezold, J.; Dick, A.; Friák, M.; Neugebauer, J.: Generation and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al–Ti. Physical Review B 81 (9), S. 094203-1 - 094203-7 (2010)
271.
Zeitschriftenartikel
Nikolov, S.; Petrov, M.; Lymperakis, L.; Friák, M.; Sachs, C.; Fabritius, H.; Raabe, D.; Neugebauer, J.: Revealing the Design Principles of High-Performance Biological Composites Using Ab initio and Multiscale Simulations: The Example of Lobster Cuticle. Advanced Materials 22 (4), S. 519 - 526 (2010)
272.
Zeitschriftenartikel
Hallstedt, B.; Djurovica, D.; von Appen, J.; Dronskowski, R.; Dick, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: Thermodynamic properties of cementite (Fe3C). CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 34, S. 129 - 133 (2010)
273.
Zeitschriftenartikel
Marquardt, O.; Hickel, T.; Neugebauer, J.: Polarization-induced charge carrier separation in polar and nonpolar grown GaN quantum dots. Journal of Applied Physics 106, S. 083707-1 - 083707-7 (2009)
274.
Zeitschriftenartikel
Dick, A.; Hickel, T.; Neugebauer, J.: The Effect of Disorder on the Concentration-Dependence of Stacking Fault Energies in Fe1-xMnx – A First Principles Study. Steel Research International 80 (9), S. 603 - 608 (2009)
275.
Zeitschriftenartikel
Valtiner, M.; Todorova, M.; Grundmeier, G.; Neugebauer, J.: Temperature Stabilized reconstructions at polar ZnO(0001). Physical Review Letters 103 (6), 065502 (2009)
276.
Zeitschriftenartikel
Udyansky, A.; von Pezold, J.; Bugaev, N. V.; Friák, M.; Neugebauer, J.: Interplay between long-range elastic and short-range chemical interactions in Fe–C martensite formation. Physical Review B 79 (22), S. 224112-1 - 224112-5 (2009)
277.
Zeitschriftenartikel
Lymperakis, L.; Neugebauer, J.: Large anisotropic adatom kinetics on nonpolar GaN surfaces: Consequences for surface morphologies and nanowire growth. Physical Review B 79, S. 241308-1 - 241308-4 (2009)
278.
Zeitschriftenartikel
Freysoldt, C.; Boeck, S.; Neugebauer, J.: Direct minimization technique for metals in density-functional theory. Physical Review B 79, 241103(R), S. 1 - 4 (2009)
279.
Zeitschriftenartikel
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations. Physical Review B 79, 184406, S. 184406-1 - 184406-5 (2009)
280.
Zeitschriftenartikel
Abu-Farsakh, H.; Neugebauer, J.: Enhancing nitrogen solubility in GaAs and InAs by surface kinetics: An ab initio study. Physical Review B 79, 155311, S. 155311 - 155323 (2009)
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