| Tunable ferroelectric polarization and its interplay with spin–orbit coupling in tin iodide perovskites A Stroppa, D Di Sante, P Barone, M Bokdam, G Kresse, C Franchini, ... Nature communications 5 (1), 1-8, 2014 | 208 | 2014 |
| Role of polar phonons in the photo excited state of metal halide perovskites M Bokdam, T Sander, A Stroppa, S Picozzi, DD Sarma, C Franchini, ... Scientific reports 6 (1), 1-8, 2016 | 155 | 2016 |
| Electrostatic doping of graphene through ultrathin hexagonal boron nitride films M Bokdam, PA Khomyakov, G Brocks, Z Zhong, PJ Kelly Nano letters 11 (11), 4631-4635, 2011 | 121 | 2011 |
| Band gaps in incommensurable graphene on hexagonal boron nitride M Bokdam, T Amlaki, G Brocks, PJ Kelly Physical Review B 89 (20), 201404, 2014 | 75 | 2014 |
| Phase transitions of hybrid perovskites simulated by machine-learning force fields trained on the fly with Bayesian inference R Jinnouchi, J Lahnsteiner, F Karsai, G Kresse, M Bokdam Physical review letters 122 (22), 225701, 2019 | 66 | 2019 |
| Schottky barriers at hexagonal boron nitride/metal interfaces: A first-principles study M Bokdam, G Brocks, MI Katsnelson, PJ Kelly Physical Review B 90 (8), 085415, 2014 | 66 | 2014 |
| Behavior of Methylammonium Dipoles in MAPbX3 (X = Br and I) S Govinda, BP Kore, M Bokdam, P Mahale, A Kumar, S Pal, ... The journal of physical chemistry letters 8 (17), 4113-4121, 2017 | 63 | 2017 |
| Fermi level pinning by integer charge transfer at electrode-organic semiconductor interfaces M Bokdam, D Çakır, G Brocks Applied physics letters 98 (11), 59, 2011 | 54 | 2011 |
| Room-temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab initio molecular dynamics perspective J Lahnsteiner, G Kresse, A Kumar, DD Sarma, C Franchini, M Bokdam Physical Review B 94 (21), 214114, 2016 | 48 | 2016 |
| Assessing density functionals using many body theory for hybrid perovskites M Bokdam, J Lahnsteiner, B Ramberger, T Schäfer, G Kresse Physical review letters 119 (14), 145501, 2017 | 37 | 2017 |
| Invariance of Germanene on from First Principles T Amlaki, M Bokdam, PJ Kelly Physical review letters 116 (25), 256805, 2016 | 36 | 2016 |
| Modeling charge transfer at organic donor-acceptor semiconductor interfaces D Cakir, M Bokdam, MP de Jong, M Fahlman, G Brocks Applied physics letters 100 (20), 109, 2012 | 34 | 2012 |
| Dipole order in halide perovskites: polarization and Rashba band splittings S Hu, H Gao, Y Qi, Y Tao, Y Li, JR Reimers, M Bokdam, C Franchini, ... The Journal of Physical Chemistry C 121 (41), 23045-23054, 2017 | 33 | 2017 |
| Field effect doping of graphene in metal| dielectric| graphene heterostructures: A model based upon first-principles calculations M Bokdam, PA Khomyakov, G Brocks, PJ Kelly Physical Review B 87 (7), 075414, 2013 | 33 | 2013 |
| Charge equilibration and potential steps in organic semiconductor multilayers G Brocks, D Çakır, M Bokdam, MP de Jong, M Fahlman Organic electronics 13 (10), 1793-1801, 2012 | 24 | 2012 |
| Finite-temperature structure of the MAPbI3 perovskite: Comparing density functional approximations and force fields to experiment B Lahnsteiner, Kresse, Heinen Phys. Rev. Materials 2 (7), 073604, 2018 | 17 | 2018 |
| Finite-temperature structure of the perovskite: Comparing density functional approximations and force fields to experiment J Lahnsteiner, G Kresse, J Heinen, M Bokdam Physical Review Materials 2 (7), 073604, 2018 | 17 | 2018 |
| Large potential steps at weakly interacting metal-insulator interfaces M Bokdam, G Brocks, PJ Kelly Physical Review B 90 (20), 201411, 2014 | 16 | 2014 |
| Long-range order imposed by short-range interactions in methylammonium lead iodide: comparing point-dipole models to machine-learning force fields J Lahnsteiner, R Jinnouchi, M Bokdam Physical Review B 100 (9), 094106, 2019 | 6 | 2019 |
| The essence of long-range order in hybrid perovskites J Lahnsteiner, R Jinnouchi, M Bokdam arXiv preprint arXiv:1905.12540, 2019 | 1 | 2019 |
Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum MechanicsVerified email at univie.ac.at
