| Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one D Ma, B Grabowski, F Körmann, J Neugebauer, D Raabe Acta Materialia 100, 90-97, 2015 | 167 | 2015 |
| 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 | 151 | 2008 |
| 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 | 92 | 2012 |
| 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 | 89 | 2011 |
| Ab initio assisted design of quinary dual-phase high-entropy alloys with transformation-induced plasticity Z Li, F Körmann, B Grabowski, J Neugebauer, D Raabe Acta Materialia 136, 262, 2017 | 76 | 2017 |
| Structural stability and thermodynamics of CrN magnetic phases from ab initio calculations and experiment L Zhou, F Körmann, D Holec, M Bartosik, B Grabowski, J Neugebauer, ... Physical Review B 90 (18), 184102, 2014 | 70 | 2014 |
| Thermodynamic properties of cementite (Fe3C) B Hallstedt, D Djurovic, J von Appen, R Dronskowski, A Dick, F Körmann, ... Calphad 34 (1), 129-133, 2010 | 70 | 2010 |
| 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 | 64 | 2014 |
| 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 | 63 | 2014 |
| 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 84 (12), 125101, 2011 | 60 | 2011 |
| Rescaled Monte Carlo approach for magnetic systems: Ab initio thermodynamics of bcc iron F Körmann, A Dick, T Hickel, J Neugebauer Physical Review B 81 (13), 134425, 2010 | 60 | 2010 |
| Lattice distortions in the FeCoNiCrMn high entropy alloy studied by theory and experiment HS Oh, D Ma, GP Leyson, B Grabowski, ES Park, F Körmann, D Raabe Entropy 18 (9), 321, 2016 | 58 | 2016 |
| 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 79 (18), 184406, 2009 | 51 | 2009 |
| “Treasure maps” for magnetic high-entropy-alloys from theory and experiment F Körmann, D Ma, DD Belyea, MS Lucas, CW Miller, B Grabowski, ... Applied Physics Letters 107 (14), 142404, 2015 | 49 | 2015 |
| Role of spin quantization in determining the thermodynamic properties of magnetic transition metals F Körmann, A Dick, T Hickel, J Neugebauer Physical Review B 83 (16), 165114, 2011 | 42 | 2011 |
| Ab initio phase stabilities and mechanical properties of multicomponent alloys: A comprehensive review for high entropy alloys and compositionally complex alloys Y Ikeda, B Grabowski, F Körmann Materials Characterization 147, 464-511, 2019 | 39 | 2019 |
| Long-ranged interactions in bcc NbMoTaW high-entropy alloys F Körmann, AV Ruban, MHF Sluiter Materials Research Letters 5 (1), 35-40, 2017 | 31 | 2017 |
| Accurate electronic free energies of the , and transition metals at high temperatures X Zhang, B Grabowski, F Körmann, C Freysoldt, J Neugebauer Physical Review B 95 (16), 165126, 2017 | 30 | 2017 |
| Phonon broadening in high entropy alloys F Körmann, Y Ikeda, B Grabowski, MHF Sluiter npj Computational Materials 3 (1), 1-9, 2017 | 27 | 2017 |
| Operando Phonon Studies of the Protonation Mechanism in Highly Active Hydrogen Evolution Reaction Pentlandite Catalysts I Zegkinoglou, A Zendegani, I Sinev, S Kunze, H Mistry, HS Jeon, J Zhao, ... Journal of the American Chemical Society 139 (41), 14360-14363, 2017 | 26 | 2017 |
Jörg NeugebauerDirector, Max-Planck-Institut für EisenforschungVerified email at mpie.de
