Articles with public access mandates - Jörg NeugebauerLearn more
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Large anisotropic adatom kinetics on nonpolar GaN surfaces: Consequences for surface morphologies and nanowire growth
L Lymperakis, J Neugebauer
Physical Review B—Condensed Matter and Materials Physics 79 (24), 241308, 2009
Mandates: German Research Foundation
Understanding the Phase Transitions of the Magnetic Shape Memory System <?format ?>from First Principles
MA Uijttewaal, T Hickel, J Neugebauer, ME Gruner, P Entel
Physical review letters 102 (3), 035702, 2009
Mandates: German Research Foundation
First-principles investigation of the effect of carbon on the stacking fault energy of Fe–C alloys
A Abbasi, A Dick, T Hickel, J Neugebauer
Acta Materialia 59 (8), 3041-3048, 2011
Mandates: German Research Foundation
Advancing density functional theory to finite temperatures: methods and applications in steel design
T Hickel, B Grabowski, F Körmann, J Neugebauer
Journal of Physics: condensed matter 24 (5), 053202, 2011
Mandates: German Research Foundation
Thermodynamic properties of cementite (Fe3C)
B Hallstedt, D Djurovic, J von Appen, R Dronskowski, A Dick, F Körmann, ...
Calphad 34 (1), 129-133, 2010
Mandates: German Research Foundation
Rescaled Monte Carlo approach for magnetic systems: Ab initio thermodynamics of bcc iron
F Körmann, A Dick, T Hickel, J Neugebauer
Physical Review B—Condensed Matter and Materials Physics 81 (13), 134425, 2010
Mandates: German Research Foundation
Ab initio based determination of thermodynamic properties of cementite including vibronic, magnetic, and electronic excitations
A Dick, F Körmann, T Hickel, J Neugebauer
Physical Review B—Condensed Matter and Materials Physics 84 (12), 125101, 2011
Mandates: German Research Foundation
The Effect of Disorder on the Concentration‐Dependence of Stacking Fault Energies in Fe1‐xMnx – a First Principles Study
A Dick, T Hickel, J Neugebauer
steel research international 80 (9), 603-608, 2009
Mandates: German Research Foundation
Understanding and controlling indium incorporation and surface segregation on InGaN surfaces: An ab initio approach
AI Duff, L Lymperakis, J Neugebauer
Physical Review B 89 (8), 085307, 2014
Mandates: European Commission
Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations
F Körmann, A Dick, T Hickel, J Neugebauer
Physical Review B—Condensed Matter and Materials Physics 79 (18), 184406, 2009
Mandates: German Research Foundation
Ab initio Prediction of Martensitic and Intermartensitic Phase Boundaries in Ni-Mn-Ga
B Dutta, A Çakır, C Giacobbe, A Al-Zubi, T Hickel, M Acet, J Neugebauer
Physical Review Letters 116 (2), 025503, 2016
Mandates: German Research Foundation
Calculating free energies of point defects from ab initio
X Zhang, B Grabowski, T Hickel, J Neugebauer
Computational Materials Science 148, 249-259, 2018
Mandates: European Commission
Role of spin quantization in determining the thermodynamic properties of magnetic transition metals
F Körmann, A Dick, T Hickel, J Neugebauer
Physical Review B—Condensed Matter and Materials Physics 83 (16), 165114, 2011
Mandates: German Research Foundation
Functional adaptation of crustacean exoskeletal elements through structural and compositional diversity: a combined experimental and theoretical study
HO Fabritius, A Ziegler, M Friák, S Nikolov, J Huber, BHM Seidl, ...
Bioinspiration & biomimetics 11 (5), 055006, 2016
Mandates: German Research Foundation
GaN (0001) surface states: Experimental and theoretical fingerprints to identify surface reconstructions
M Himmerlich, L Lymperakis, R Gutt, P Lorenz, J Neugebauer, S Krischok
Physical Review B—Condensed Matter and Materials Physics 88 (12), 125304, 2013
Mandates: German Research Foundation
First-principles study of the thermodynamic and elastic properties of eutectic Fe–Ti alloys
LF Zhu, M Friák, A Dick, B Grabowski, T Hickel, F Liot, D Holec, ...
Acta materialia 60 (4), 1594-1602, 2012
Mandates: German Research Foundation
A generalized plane-wave formulation of k· p formalism and continuum-elasticity approach to elastic and electronic properties of semiconductor nanostructures
O Marquardt, S Boeck, C Freysoldt, T Hickel, S Schulz, J Neugebauer, ...
Computational materials science 95, 280-287, 2014
Mandates: German Research Foundation, Science Foundation Ireland
Impact of local magnetism on stacking fault energies: A first-principles investigation for fcc iron
I Bleskov, T Hickel, J Neugebauer, A Ruban
Physical Review B 93 (21), 214115, 2016
Mandates: German Research Foundation
Ab Initio‐Based Prediction of Phase Diagrams: Application to Magnetic Shape Memory Alloys
T Hickel, M Uijttewaal, A Al‐Zubi, B Dutta, B Grabowski, J Neugebauer
Advanced Engineering Materials 14 (8), 547-561, 2012
Mandates: German Research Foundation
Invar effects in FeNiCo medium entropy alloys: From an Invar treasure map to alloy design
Z Rao, D Ponge, F Koermann, Y Ikeda, O Schneeweiss, M Friák, ...
Intermetallics 111, 106520, 2019
Mandates: German Research Foundation, Netherlands Organisation for Scientific Research
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