Tilmann Hickel
TitleCited byYear
First-principles calculations for point defects in solids
C Freysoldt, B Grabowski, T Hickel, J Neugebauer, G Kresse, A Janotti, ...
Reviews of modern physics 86 (1), 253, 2014
10532014
A map for phase-change materials
D Lencer, M Salinga, B Grabowski, T Hickel, J Neugebauer, M Wuttig
Nature materials 7 (12), 972-977, 2008
5612008
Revealing the strain-hardening behavior of twinning-induced plasticity steels: Theory, simulations, experiments
DR Steinmetz, T Jäpel, B Wietbrock, P Eisenlohr, I Gutierrez-Urrutia, ...
Acta Materialia 61 (2), 494-510, 2013
3052013
Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends
B Grabowski, T Hickel, J Neugebauer
Physical Review B 76 (2), 024309, 2007
2072007
Ab initio up to the melting point: Anharmonicity and vacancies in aluminum
B Grabowski, L Ismer, T Hickel, J Neugebauer
Physical Review B 79 (13), 134106, 2009
2012009
Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions
F Körmann, A Dick, B Grabowski, B Hallstedt, T Hickel, J Neugebauer
Physical Review B 78 (3), 033102, 2008
1512008
Understanding the Phase Transitions of the Magnetic Shape Memory System from First Principles
MA Uijttewaal, T Hickel, J Neugebauer, ME Gruner, P Entel
Physical review letters 102 (3), 035702, 2009
1402009
First-principles study on the interaction of H interstitials with grain boundaries in - and -Fe
YA Du, L Ismer, J Rogal, T Hickel, J Neugebauer, R Drautz
Physical Review B 84 (14), 144121, 2011
1382011
Breakdown of the Arrhenius Law in Describing Vacancy Formation Energies: The Importance of Local Anharmonicity Revealed by Ab initio Thermodynamics
A Glensk, B Grabowski, T Hickel, J Neugebauer
Physical Review X 4 (1), 011018, 2014
1262014
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
962011
Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron
F Körmann, A Dick, B Grabowski, T Hickel, J Neugebauer
Physical Review B 85 (12), 125104, 2012
922012
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
892011
First-principles study of the thermodynamics of hydrogen-vacancy interaction in fcc iron
R Nazarov, T Hickel, J Neugebauer
Physical Review B 82 (22), 224104, 2010
882010
Thermodynamic properties of cementite (Fe3C)
B Hallstedt, D Djurovic, J von Appen, R Dronskowski, A Dick, F Körmann, ...
Calphad 34 (1), 129-133, 2010
702010
Vacancy formation energies in fcc metals: influence of exchange-correlation functionals and correction schemes
R Nazarov, T Hickel, J Neugebauer
Physical Review B 85 (14), 144118, 2012
682012
Understanding Anharmonicity in fcc Materials: From its Origin to ab initio Strategies beyond the Quasiharmonic Approximation
A Glensk, B Grabowski, T Hickel, J Neugebauer
Physical review letters 114 (19), 195901, 2015
672015
Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment
F Körmann, B Grabowski, B Dutta, T Hickel, L Mauger, B Fultz, ...
Physical review letters 113 (16), 165503, 2014
642014
Lambda transitions in materials science: Recent advances in CALPHAD and first‐principles modelling
F Körmann, AAH Breidi, SL Dudarev, N Dupin, G Ghosh, T Hickel, ...
physica status solidi (b) 251 (1), 53-80, 2014
642014
Density functional theory in materials science
J Neugebauer, T Hickel
Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (5), 438-448, 2013
642013
Comparison of atomistic and continuum theoretical approaches to determine electronic properties of GaN/AlN quantum dots
O Marquardt, D Mourad, S Schulz, T Hickel, G Czycholl, J Neugebauer
Physical Review B 78 (23), 235302, 2008
642008
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Articles 1–20