Assessing the quality of relaxation-time approximations with fully-automated computations of phonon-limited mobilities R Claes, G Brunin, M Giantomassi, GM Rignanese, G Hautier Physical Review B 106 (9), 094302, 2022 | 14 | 2022 |
Limits to hole mobility and doping in copper iodide J Willis, R Claes, Q Zhou, M Giantomassi, GM Rignanese, G Hautier, ... Chemistry of Materials 35 (21), 8995-9006, 2023 | 8 | 2023 |
Discovery of the Zintl-phosphide BaCd2P2 as a long carrier lifetime and stable solar absorber Z Yuan, D Dahliah, MR Hasan, G Kassa, A Pike, S Quadir, R Claes, ... Joule 8 (5), 1412-1429, 2024 | 6 | 2024 |
Quasi-1D electronic transport and isotropic phonon transport in the Zintl Ca5In2Sb6 DM Smiadak, R Claes, N Perez, M Marshall, W Peng, W Chen, G Hautier, ... Materials Today Physics 22, 100597, 2022 | 5 | 2022 |
Assessing carrier mobility, dopability, and defect tolerance in the chalcogenide perovskite BaZrS Z Yuan, D Dahliah, R Claes, A Pike, DP Fenning, GM Rignanese, ... arXiv preprint arXiv:2405.09793, 2024 | | 2024 |
First-principles computations of phonon-limited carrier transport in semiconductors R Claes UCL-Université Catholique de Louvain, 2024 | | 2024 |
Computationally-driven discovery of second harmonic generation in EuBa3(B3O6)3 through inversion symmetry breaking J He, L Alaerts, Y Wang, V Trinquet, S Yoshida, H Yennawar, V Sanni, ... Optical Materials Express 13 (12), 3416-3427, 2023 | | 2023 |
Strong electron-phonon coupling driven pseudogap modulation and density-wave fluctuations in a correlated polar metal H Wang, Y Xiong, H Padma, Y Wang, Z Wang, R Claes, G Brunin, L Min, ... Nature communications 14 (1), 5769, 2023 | | 2023 |