Publications

Publications

Journal Article (21)

2017
Journal Article
Self-consistent DFT + U method for real-space time-dependent density functional theory calculations
Physical Review B 96 (24), 245133 (2017)
Journal Article
Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne
L. Shi, P. Rohringer, M. Wanko, A. Rubio, S. Waßerroth, S. Reich, S. Cambré, W. Wenseleers, P. Ayala, T. Pichler
Physical Review Materials 1 (7), 075601 (2017)
Journal Article
Exact functionals for correlated electron-photon systems
New Journal of Physics 19, 113036 (2017)
Journal Article
Ellipticity dependence of high-harmonic generation in solids originating from coupled intraband and interband dynamics
N. Tancogne-Dejean, O. D. Mücke, F. X. Kärtner, A. Rubio
Nature Communications 8, 745 (2017)
Journal Article
Modeling of laser-pulse induced water decomposition on two-dimensional materials by simulations based on time-dependent density functional theory
Y. Miyamoto, H. Zhang, X. Cheng, A. Rubio
Physical Review B 96 (11), 115451 (2017)
Journal Article
Square selenene and tellurene: novel group VI elemental 2D materials with nontrivial topological properties
L. D. Xian, A. P. Paz, E. Bianco, P. M. Ajayan, A. Rubio
2D Materials 4 (4), 041003 (2017)
Journal Article
Momentum-Resolved View of Electron-Phonon Coupling in Multilayer WSe2
L. Waldecker, R. Bertoni, H. Hübener, T. Brumme, T. Vasileiadis, D. Zahn, A. Rubio, R. Ernstorfer
Physical Review Letters 119 (3), 036803 (2017)
Journal Article
Anomalous anisotropic exciton temperature dependence in rutile TiO2
E. Baldini, A. Dominguez, L. Chiodo, E. Sheveleva, M. Yazdi-Rizi, C. Bernhard, A. Rubio, M. Chergui
Physical Review B 96 (4), 041204 (2017)
Journal Article
Controlling heat and particle currents in nanodevices by quantum observation
R. Biele, C. A. Rodríguez-Rosario, T. Frauenheim, A. Rubio
Npj Quantum Materials 2, 38 (2017)
Journal Article
TDDFT-Based Study on the Proton-DNA Collision
R. Seraide, M. A. Bernal, G. Brunetto, U. de Giovannini, A. Rubio
The Journal of Physical Chemistry B 121 (30), 7276–7283 (2017)
Journal Article
Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer Transition-metal Dichalcogenide Heterostructures
H. S. Sen, L. Xian, F. da Jornada, S. G. Louie, A. Rubio
Israel Journal of Chemistry 57 (6), 540–546 (2017)
Journal Article
Nonlocally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor
Science Advances 3 (5), e1603137 (2017)
Journal Article
Strongly bound excitons in anatase TiO2 single crystals and nanoparticles
E. Baldini, L. Chiodo, A. Dominguez, M. Palummo, S. Moser, M. Yazdi-Rizi, G. Auböck, B. P. P. Mallett, H. Berger, A. Magrez, C. Bernhard, M. Grioni, A. Rubio, M. Chergui
Nature Communications 8, 13 (2017)
Journal Article
Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective
E. Khosravi, A. Abedi, A. Rubio, N. T. Maitra
Physical Chemistry Chemical Physics 19 (12), 8269–8281 (2017)
Journal Article
Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT
P. Wopperer, U. De Giovannini, A. Rubio
European Physical Journal B 90 (3), 51 (2017)
Journal Article
Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry
Proceedings of the National Academy of Sciences of the United States of America 114 (12), 3026–3034 (2017)
Journal Article
Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems
Journal of Chemical Theory and Computation 13 (4), 1616–1625 (2017)
Journal Article
Impact of the electronic band structure in high-harmonic generation spectra of solids
N. Tancogne-Dejean, O. D. Mücke, F. X. Kärtner, A. Rubio
Physical Review Letters 118 (8), 087403 (2017)
Journal Article
h-AlN-Mg(OH)2 van der Waals bilayer heterostructure: Tuning the excitonic characteristics
C. Bacaksiz, A. Dominguez, A. Rubio, R. T. Senger, H. Sahin
Physical Review B 95 (7), 075423 (2017)
Journal Article
Creating stable Floquet-Weyl semimetals by laser-driving of 3D Dirac materials
H. Hübener, M. A. Sentef, U. de Giovannini, A. F. Kemper, A. Rubio
Nature Communications 8, 13940 (2017)
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