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Thomas Brumme
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Advanced capabilities for materials modelling with Quantum ESPRESSO
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
65912017
Visualizing the spin of individual cobalt-phthalocyanine molecules
C Iacovita, MV Rastei, BW Heinrich, T Brumme, J Kortus, L Limot, ...
Physical review letters 101 (11), 116602, 2008
3132008
Twist-angle-dependent interlayer exciton diffusion in WS2–WSe2 heterobilayers
L Yuan, B Zheng, J Kunstmann, T Brumme, AB Kuc, C Ma, S Deng, ...
Nature materials 19 (6), 617-623, 2020
2432020
First-principles theory of field-effect doping in transition-metal dichalcogenides: Structural properties, electronic structure, Hall coefficient, and electrical conductivity
T Brumme, M Calandra, F Mauri
Physical Review B 91 (15), 155436, 2015
1592015
Evidence for flat bands near the Fermi level in epitaxial rhombohedral multilayer graphene
D Pierucci, H Sediri, M Hajlaoui, JC Girard, T Brumme, M Calandra, ...
ACS nano 9 (5), 5432-5439, 2015
1452015
Modeling spin transport in helical fields: derivation of an effective low-dimensional Hamiltonian
R Gutierrez, E Díaz, C Gaul, T Brumme, F Domínguez-Adame, G Cuniberti
The Journal of Physical Chemistry C 117 (43), 22276-22284, 2013
1352013
Momentum-Resolved View of Electron-Phonon Coupling in Multilayer
L Waldecker, R Bertoni, H Hübener, T Brumme, T Vasileiadis, D Zahn, ...
Physical Review Letters 119 (3), 036803, 2017
1092017
Coverage-driven electronic decoupling of Fe-phthalocyanine from a Ag (111) substrate
TG Gopakumar, T Brumme, J Kroger, C Toher, G Cuniberti, R Berndt
The Journal of Physical Chemistry C 115 (24), 12173-12179, 2011
802011
Direct observation of the tunneling channels of a chemisorbed molecule
BW Heinrich, C Iacovita, T Brumme, DJ Choi, L Limot, MV Rastei, ...
The Journal of Physical Chemistry Letters 1 (10), 1517-1523, 2010
802010
Electrochemical doping of few-layer ZrNCl from first principles: Electronic and structural properties in field-effect configuration
T Brumme, M Calandra, F Mauri
Physical Review B 89 (24), 245406, 2014
612014
Stone–wales defects cause high proton permeability and isotope selectivity of single‐layer graphene
Y An, AF Oliveira, T Brumme, A Kuc, T Heine
Advanced Materials 32 (37), 2002442, 2020
382020
Phosphoric Acid Catalyzed Formation of Hydrogen-Bonded o-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward …
F Göricke, S Haseloff, M Laue, M Schneider, T Brumme, C Schneider
The Journal of Organic Chemistry 85 (18), 11699-11720, 2020
282020
Electron–phonon-driven three-dimensional metallicity in an insulating cuprate
E Baldini, MA Sentef, S Acharya, T Brumme, E Sheveleva, F Lyzwa, ...
Proceedings of the National Academy of Sciences 117 (12), 6409-6416, 2020
282020
Dynamical bistability of single-molecule junctions: A combined experimental and theoretical study of PTCDA on Ag (111)
T Brumme, OA Neucheva, C Toher, R Gutiérrez, C Weiss, R Temirov, ...
Physical Review B 84 (11), 115449, 2011
252011
Atomic and electronic structure of trilayer graphene/SiC (0001): Evidence of Strong Dependence on Stacking Sequence and charge transfer
D Pierucci, T Brumme, JC Girard, M Calandra, MG Silly, F Sirotti, ...
Scientific Reports 6 (1), 33487, 2016
212016
Anisotropic strain on phonons in a-plane GaN layers studied by Raman scattering
G Irmer, T Brumme, M Herms, T Wernicke, M Kneissl, M Weyers
Journal of Materials Science: Materials in Electronics 19, 51-57, 2008
192008
Determination of scattering time and of valley occupation in transition-metal dichalcogenides doped by field effect
T Brumme, M Calandra, F Mauri
Physical Review B 93 (8), 081407, 2016
122016
Strong dipolar repulsion of one-dimensional interfacial excitons in monolayer lateral heterojunctions
L Yuan, B Zheng, Q Zhao, R Kempt, T Brumme, AB Kuc, C Ma, S Deng, ...
ACS nano 17 (16), 15379-15387, 2023
10*2023
Strong band-filling-dependence of the scattering lifetime in gated MoS2 nanolayers induced by the opening of intervalley scattering channels
D Romanin, T Brumme, D Daghero, RS Gonnelli, E Piatti
Journal of Applied Physics 128 (6), 2020
102020
Artificial relativistic molecules
JW Park, HS Kim, T Brumme, T Heine, HW Yeom
Nature communications 11 (1), 815, 2020
62020
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