Journal Article (586)

2018
Journal Article
Adsorption Conformation and Lateral Registry of Cobalt Porphine on Cu(111)
M. Schwarz, M. Garnica, D. A. Duncan, A. P. Paz, J. Ducke, P. S. Deimel, P. K. Thakur, T.-L. Lee, A. Rubio, J. V. Barth, F. Allegretti, W. Auwärter
The Journal of Physical Chemistry C 122 (10), 5452–5461 (2018)
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Journal Article
From a quantum-electrodynamical light–matter description to novel spectroscopies
M. Ruggenthaler, N. Tancogne-Dejean, J. Flick, H. Appel, A. Rubio
Nature Reviews Chemistry 2 (3), UNSP 0118 (2018)
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Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation
J. Ducke, A. Riss, A. Pérez Paz, K. Seufert, M. Schwarz, M. Garnica, A. Rubio, W. Auwärter
ACS Nano 12 (3), 2677–2684 (2018)
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Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State
J. Flick, C. Schäfer, M. Ruggenthaler, H. Appel, A. Rubio
ACS Photonics 5 (3), 992–1005 (2018)
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Journal Article
Atomic-like high-harmonic generation from two-dimensional materials
N. Tancogne-Dejean, A. Rubio
Science Advances 4 (2), eaao5207 (2018)
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Journal Article
Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy
V. Rokaj, D. Welakuh, M. Ruggenthaler, A. Rubio
Journal of Physics B: Atomic, Molecular and Optical Physics 51 (3), 034005 (2018)
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Journal Article
Phonon-driven spin-Floquet magneto-valleytronics in MoS2
D. Shin, H. Hübener, U. de Giovannini, H. Jin, A. Rubio, N. Park
Nature Communications 9 (638), 638 (2018)
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Phonon Driven Floquet Matter
H. Hübener, U. de Giovannini, A. Rubio
Nano Letters 18 (2), 1535–1542 (2018)
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Journal Article
Ab initio multiscale simulation of high-order harmonic generation in solids
I. Floss, C. Lemell, G. Wachter, V. Smejkal, S. Sato, X.-M. Tong, K. Yabana, J. Burgdörfer
Physical Review A 97 (1), 011401 (2018)
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Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes
S. G. Miralles, A. Bedoya-Pinto, J. Baldovi, W. Cañon-Mancisidor, Y. Prado, H. Prima-Garcia, A. Gaita-Ariño, G. M. Espallargas, L. E. Hueso, E. Coronado
Chemical Science 9 (1), 199–208 (2018)
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Large area planar stanene epitaxially grown on Ag(1 1 1)
J. Yuhara, Y. Fujii, K. Nishino, N. Isobe, M. Nakatake, L. Xian, A. Rubio, G. Le Lay
2D Materials 5 (2), 025002 (2018)
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Journal Article
Recent developments in libxc — A comprehensive library of functionals for density functional theory
S. Lehtolaa, C. Steigemann, M. J. T. Oliveira, M. A. L. Marques
SoftwareX 7, 1–5 (2018)
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2017
Journal Article
Self-consistent DFT + U method for real-space time-dependent density functional theory calculations
N. Tancogne-Dejean, M. J. T. Oliveira, A. Rubio
Physical Review B 96 (24), 245133 (2017)
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Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas
T. Baldsiefen, A. Cangi, F. G. Eich, E. K. U. Gross
Physical Review A 96 (6), 062508 (2017)
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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)
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Exact functionals for correlated electron-photon systems
T. Dimitrov, J. Flick, M. Ruggenthaler, A. Rubio
New Journal of Physics 19, 113036 (2017)
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Time-dependent Landauer-Büttiker approach to charge pumping in ac-driven graphene nanoribbons
M. Ridley, R. Tuovinen
Physical Review B 96 (19), 195429 (2017)
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Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats
L. M. Ghiringhelli, C. Carbogno, S. Levchenko, F. Mohamed, G. Huhs, M. Lüders, M. J. T. Oliveira, M. Scheffler
Npj Computational Materials 3, UNSP 46 (2017)
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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)
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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)
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