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
105 2021 Pressure-induced topological phase transitions in rocksalt chalcogenides P Barone, T Rauch, D Di Sante, J Henk, I Mertig, S Picozzi
Physical Review B—Condensed Matter and Materials Physics 88 (4), 045207, 2013
100 2013 Dual Topological Character of Chalcogenides: Theory for T Rauch, M Flieger, J Henk, I Mertig, A Ernst
Physical Review Letters 112 (1), 016802, 2014
79 2014 Impact of the Topological Surface State on the Thermoelectric Transport in Sb2 Te3 Thin Films NF Hinsche, S Zastrow, J Gooth, L Pudewill, R Zierold, F Rittweger, ...
Acs Nano 9 (4), 4406-4411, 2015
75 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
68 2020 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
41 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
40 2020 Double band inversion in VA Rogalev, T Rauch, MR Scholz, F Reis, L Dudy, A Fleszar, MA Husanu, ...
Physical Review B 95 (16), 161117, 2017
40 2017 Geometric and nongeometric contributions to the surface anomalous Hall conductivity T Rauch, T Olsen, D Vanderbilt, I Souza
Physical Review B 98, 115108, 2018
38 2018 Spin Chirality Tuning and Topological Semimetals in Strained T Rauch, S Achilles, J Henk, I Mertig
Physical Review Letters 114 (23), 236805, 2015
29 2015 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
24 2022 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
22 2017 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
20 2022 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 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
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 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
16 2021 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
13 2021 Gapless hinge states from adiabatic pumping of axion coupling T Olsen, T Rauch, D Vanderbilt, I Souza
Physical Review B 102 (3), 035166, 2020
13 2020 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
11 2022 
Silvana BottiRC-FEMS and Faculty of Physics, Ruhr University Bochum, GermanyDirección de correo verificada de rub.de
