| The relation between ductility and stacking fault energies in Mg and Mg–Y alloys S Sandlöbes, M Friák, S Zaefferer, A Dick, S Yi, D Letzig, Z Pei, LF Zhu, ... Acta Materialia 60 (6-7), 3011-3021, 2012 | 605 | 2012 |
| Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties S Sandlöbes, Z Pei, M Friák, LF Zhu, F Wang, S Zaefferer, D Raabe, ... Acta Materialia 70, 92-104, 2014 | 322 | 2014 |
| Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg–Y alloys Z Pei, LF Zhu, M Friák, S Sandlöbes, J von Pezold, HW Sheng, CP Race, ... New Journal of Physics 15 (4), 043020, 2013 | 138 | 2013 |
| Efficient approach to compute melting properties fully from ab initio with application to Cu LF Zhu, B Grabowski, J Neugebauer Physical Review B 96 (22), 224202, 2017 | 87 | 2017 |
| 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 | 57 | 2016 |
| Nitrogen defects and ferromagnetism in Cr-doped dilute magnetic semiconductor AlN from first principles LJ Shi, LF Zhu, YH Zhao, BG Liu Physical Review B—Condensed Matter and Materials Physics 78 (19), 195206, 2008 | 57 | 2008 |
| 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 | 49 | 2012 |
| Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals LF Zhu, M Friák, L Lymperakis, H Titrian, U Aydin, AM Janus, HO Fabritius, ... Journal of the mechanical behavior of biomedical materials 20, 296-304, 2013 | 44 | 2013 |
| An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al S Bigdeli, LF Zhu, A Glensk, B Grabowski, B Lindahl, T Hickel, M Selleby Calphad 65, 79-85, 2019 | 41 | 2019 |
| A fully automated approach to calculate the melting temperature of elemental crystals LF Zhu, J Janssen, S Ishibashi, F Körmann, B Grabowski, J Neugebauer Computational Materials Science 187, 110065, 2021 | 39 | 2021 |
| Half-metallic ferromagnets based on the rock-salt IV–VI semiconductor GeTe YH Zhao, WH Xie, LF Zhu, BG Liu Journal of Physics: Condensed Matter 18 (45), 10259, 2006 | 39 | 2006 |
| Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications M Friák, T Hickel, B Grabowski, L Lymperakis, A Udyansky, A Dick, D Ma, ... The European Physical Journal Plus 126, 1-22, 2011 | 33 | 2011 |
| Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: Application to Al and magnetic Ni LF Zhu, F Körmann, AV Ruban, J Neugebauer, B Grabowski Physical Review B 101 (14), 144108, 2020 | 27 | 2020 |
| Ab initio based study of finite-temperature structural, elastic and thermodynamic properties of FeTi LF Zhu, M Friák, A Udyansky, D Ma, A Schlieter, U Kühn, J Eckert, ... Intermetallics 45, 11-17, 2014 | 26 | 2014 |
| Distorted magnetic orders and electronic structures of tetragonal FeSe from first principles YF Li, LF Zhu, SD Guo, YC Xu, BG Liu Journal of Physics: Condensed Matter 21 (11), 115701, 2009 | 22 | 2009 |
| Striped antiferromagnetism and electronic structures of SrFeAsF and their implications LF Zhu, BG Liu Europhysics Letters 85 (6), 67009, 2009 | 16 | 2009 |
| Stability and size effect of silica nanotube C Xu, J Cao, L Zhu, C Gao Acta Physico-Chimica Sinica 22 (4), 451-455, 2006 | 16 | 2006 |
| Melting properties of the refractory metals V and W and the binary VW alloy fully from first principles LF Zhu, P Srinivasan, Y Gong, T Hickel, B Grabowski, F Körmann, ... Physical Review B 109 (9), 094110, 2024 | 6 | 2024 |
| Density functional study on silica clusters (SiO2) nO (2) H (4) C Xu, LF Zhu, CY Gao, J Cao ACTA PHYSICO-CHIMICA SINICA 22 (2), 152-155, 2006 | 5 | 2006 |
| Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals M Friák, LF Zhu, L Lymperakis, H Titrian, U Aydin, AM Janus, HO Fabritius, ... Key Engineering Materials 592, 335-341, 2014 | 3 | 2014 |
Jörg NeugebauerDirector, Max-Planck-Institut für EisenforschungGeverifieerd e-mailadres voor mpie.de