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Tomáš Rauch
Tomáš Rauch
FSU Jena, Germany
Verified email at uni-jena.de
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Cited by
Year
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
902013
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
742021
Dual Topological Character of Chalcogenides: Theory for
T Rauch, M Flieger, J Henk, I Mertig, A Ernst
Physical Review Letters 112 (1), 016802, 2014
732014
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
682015
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
492020
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
332017
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
292021
Geometric and nongeometric contributions to the surface anomalous Hall conductivity
T Rauch, T Olsen, D Vanderbilt, I Souza
Physical Review B 98, 115108, 2018
282018
Spin Chirality Tuning and Topological Semimetals in Strained
T Rauch, S Achilles, J Henk, I Mertig
Physical Review Letters 114 (23), 236805, 2015
282015
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
24*2020
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
202016
Nontrivial interface states confined between two topological insulators
T Rauch, M Flieger, J Henk, I Mertig
Physical Review B 88 (24), 245120, 2013
192013
Model for ferromagnetic Weyl and nodal line semimetals: Topological invariants, surface states, anomalous and spin Hall effect
T Rauch, HN Minh, J Henk, I Mertig
Physical Review B 96 (23), 235103, 2017
172017
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
152016
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
132022
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
132021
Gapless hinge states from adiabatic pumping of axion coupling
T Olsen, T Rauch, D Vanderbilt, I Souza
Physical Review B 102 (3), 035166, 2020
132020
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
102022
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
72022
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
62021
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