Pressure-induced topological phase transitions in rocksalt chalcogenides P Barone, T Rauch, D Di Sante, J Henk, I Mertig, S Picozzi Physical Review B 88 (4), 045207, 2013 | 93 | 2013 |
First-principles identification of single photon emitters based on carbon clusters in hexagonal boron nitride C Jara, T Rauch, S Botti, MAL Marques, A Norambuena, R Coto, ... The Journal of Physical Chemistry A 125 (6), 1325-1335, 2021 | 77 | 2021 |
Dual Topological Character of Chalcogenides: Theory for T Rauch, M Flieger, J Henk, I Mertig, A Ernst Physical Review Letters 112 (1), 016802, 2014 | 73 | 2014 |
Impact of the Topological Surface State on the Thermoelectric Transport in Sb2Te3 Thin Films NF Hinsche, S Zastrow, J Gooth, L Pudewill, R Zierold, F Rittweger, ... Acs Nano 9 (4), 4406-4411, 2015 | 69 | 2015 |
Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional Materials T Rauch, MAL Marques, S Botti Journal of Chemical Theory and Computation 16 (4), 2654-2660, 2020 | 51 | 2020 |
Double band inversion in -Sn: Appearance of topological surface states and the role of orbital composition VA Rogalev, T Rauch, MR Scholz, F Reis, L Dudy, A Fleszar, MA Husanu, ... Physical Review B 95 (16), 161117, 2017 | 33 | 2017 |
Bandgap of two-dimensional materials: Thorough assessment of modern exchange–correlation functionals F Tran, J Doumont, L Kalantari, P Blaha, T Rauch, P Borlido, S Botti, ... The Journal of Chemical Physics 155 (10), 2021 | 30 | 2021 |
Accurate electronic band gaps of two-dimensional materials from the local modified Becke-Johnson potential T Rauch, MAL Marques, S Botti Physical Review B 101, 245163, 2020 | 30* | 2020 |
Geometric and nongeometric contributions to the surface anomalous Hall conductivity T Rauch, T Olsen, D Vanderbilt, I Souza Physical Review B 98, 115108, 2018 | 29 | 2018 |
Spin Chirality Tuning and Topological Semimetals in Strained T Rauch, S Achilles, J Henk, I Mertig Physical Review Letters 114 (23), 236805, 2015 | 28 | 2015 |
Existence of topological nontrivial surface states in strained transition metals: W, Ta, Mo, and Nb D Thonig, T Rauch, H Mirhosseini, J Henk, I Mertig, H Wortelen, ... Physical Review B 94 (15), 155132, 2016 | 20 | 2016 |
Nontrivial interface states confined between two topological insulators T Rauch, M Flieger, J Henk, I Mertig Physical Review B 88 (24), 245120, 2013 | 19 | 2013 |
Model for ferromagnetic Weyl and nodal line semimetals: Topological invariants, surface states, anomalous and spin Hall effect T Rauch, H Nguyen Minh, J Henk, I Mertig Physical Review B 96 (23), 235103, 2017 | 17 | 2017 |
DensityTool: A post-processing tool for space-and spin-resolved density of states from VASP L Lodeiro, T Rauch Computer Physics Communications 277, 108384, 2022 | 15 | 2022 |
Electronic structure of molecules, surfaces, and molecules on surfaces with the local modified Becke–Johnson exchange–correlation potential T Rauch, MAL Marques, S Botti Journal of Chemical Theory and Computation 17 (8), 4746-4755, 2021 | 15 | 2021 |
Topological crystalline insulator in a new Bi semiconducting phase F Munoz, MG Vergniory, T Rauch, J Henk, EV Chulkov, I Mertig, S Botti, ... Scientific Reports 6 (1), 21790, 2016 | 15 | 2016 |
Gapless hinge states from adiabatic pumping of axion coupling T Olsen, T Rauch, D Vanderbilt, I Souza Physical Review B 102 (3), 035166, 2020 | 14 | 2020 |
Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study A Ghosh, S Jana, T Rauch, F Tran, MAL Marques, S Botti, LA Constantin, ... The Journal of Chemical Physics 157 (12), 2022 | 13 | 2022 |
Electronic structure and epitaxy of CdTe shells on InSb nanowires G Badawy, B Zhang, T Rauch, J Momand, S Koelling, J Jung, ... Advanced Science 9 (12), 2105722, 2022 | 7 | 2022 |
Defect levels from SCAN and MBJ meta-GGA exchange-correlation potentials T Rauch, F Munoz, MAL Marques, S Botti Physical Review B 104 (6), 064105, 2021 | 6 | 2021 |