Publications | Max Planck Institute for the Structure and Dynamics of Matter

Max Planck Institute for the Structure and Dynamics of Matter

Journal Article (664)

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)

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Journal Article

U(1)×SU(2) gauge invariance made simple for density functional approximations

S. Pittalis, G. Vignale, F. G. Eich

Physical Review B 96 (3), 035141 (2017)

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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)

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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)

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supplementary-material

Journal Article

Effective mass of quasiparticles from thermodynamics

F. G. Eich, M. Holzmann, and G. Vignale

Physical Review B 96 (3), 035132 (2017)

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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)

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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)

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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)

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Journal Article

Nonlocally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor

S. Yan, L. Malavolti, J. A. J. Burgess, A. Droghetti, A. Rubio, S. Loth

Science Advances 3 (5), e1603137 (2017)

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Journal Article

Light-enhanced electron-phonon coupling from nonlinear electron-phonon coupling

Physical Review B 95 (20), 205111 (2017)

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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)

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Journal Article

Time-Dependent Extension of the Long-Range Corrected Density Functional Based Tight-Binding Method

J. J. Kranz, M. Elstner, B. Aradi, T. Frauenheim, V. Lutsker, A. Domínguez García, T. A. Niehaus

Journal of Chemical Theory and Computation 13 (4), 1737–1747 (2017)

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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)

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Journal Article

Charge transfer excitations from particle-particle random phase approximation—Opportunities and challenges arising from two-electron deficient systems

Y. Yang, A. Dominguez, D. Zhang, V. Lutsker, T. A. Niehaus, T. Frauenheim, W. Yang

The Journal of Chemical Physics 146 (12), 124104 (2017)

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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)

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Journal Article

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

J. Flick, M. Ruggenthaler, H. Appel, A. Rubio

Proceedings of the National Academy of Sciences of the United States of America 114 (12), 3026–3034 (2017)

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Journal Article

Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems

J. Flick, H. Appel, M. Ruggenthaler, A. Rubio

Journal of Chemical Theory and Computation 13 (4), 1616–1625 (2017)

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Journal Article

Bimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation

S. Leret, Y. Pouillon, S. Casado, C. Navío, A. Rubio, E. M. Pérez

Chemical Science 8 (3), 1927–1935 (2017)

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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)

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supplementary-material

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)

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