Publications

Max Planck Institute for the Structure and Dynamics of Matter

Journal Article (1471)

2020

Journal Article

Megahertz single-particle imaging at the European XFEL

E. Sobolev, S. Zolotarev, K. Giewekemeyer, J. Bielecki, K. Okamoto, H. K. N. Reddy, J. Andreasson, K. Ayyer, I. Barak, S. Bari, A. Barty, R. Bean, S. Bobkov, H. N. Chapman, G. Chojnowski, B. J. Daurer, K. Dörner, T. Ekeberg, L. Flückiger, O. Galzitskaya, L. Gelisio, S. Hauf, B. G. Hogue, D. A. Horke, A. Hosseinizadeh, V. Ilyin, C. Jung, C. Kim, Y. Kim, R. A. Kirian, H. Kirkwood, O. Kulyk, J. Küpper, R. Letrun, N. D. Loh, K. Lorenzen, M. Messerschmidt, K. Mühlig, A. Ourmazd, N. Raab, A. V. Rode, M. Rose, A. Round, T. Sato, R. Schubert, P. Schwander, J. A. Sellberg, M. Sikorski, A. Silenzi, C. Song, J. C. H. Spence, S. Stern, J. Sztuk-Dambietz, A. Teslyuk, N. Timneanu, M. Trebbin, C. Uetrecht, B. Weinhausen, G. J. Williams, P. L. Xavier, C. Xu, I. A. Vartanyants, V. S. Lamzin, A. Mancuso, F. R. N. C. Maia

Communications Physics 3 (1), 97 (2020)

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Electronic Properties and Charge Transfer of Topologically Protected States in Hybrid Bismuthene Layers

A. L. da Rosa, E. N. Lima, M. C. da Silva, R. B. Pontes, J. S. de Almeida, T. M. Schmidt, T. Frauenheim

The Journal of Physical Chemistry C 124 (21), 11708–11715 (2020)

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Reference-enhanced x-ray single-particle imaging

Optica 7 (6), 593–601 (2020)

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[Viewpoint:] Postponing Heat Death in Periodically Driven Systems

Physics 13, 86 (2020)

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Journal Article

Excited-State Vibronic Dynamics of Bacteriorhodopsin from Two-Dimensional Electronic Photon Echo Spectroscopy and Multiconfigurational Quantum Chemistry

S. Gozem, P. J. M. Johnson, A. Halpin, H. L. Luk, T. Morizumi, V. Prokhorenko, O. P. Ernst, M. Olivucci, R. J. D. Miller

The Journal of Physical Chemistry Letters 11 (10), 3889–3896 (2020)

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Setting the photoelectron clock through molecular alignment

A. Trabattoni, J. Wiese, U. de Giovannini, J.-F. Olivieri, T. Mullins, J. Onvlee, S.-K. Son, B. Frusteri, A. Rubio, S. Trippel, J. Küpper

Nature Communications 11 (1), 2546 (2020)

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Contrasting Efficiency of Electron-Induced Reaction at Cu(110) in Aliphatic and Aromatic Bromides

M. J. Timm, L. Leung, K. Anggara, T. Lim, Z. Hu, S. Latini, A. Rubio, J. C. Polanyi

Journal of the American Chemical Society 142 (20), 9453–9459 (2020)

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Floquet Engineering Topological Many-Body Localized Systems

K. S. C. Decker, C. Karrasch, J. Eisert, D. M. Kennes

Physical Review Letters 124 (19), 190601 (2020)

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Nature of Symmetry Breaking at the Excitonic Insulator Transition: Ta₂NiSe₅

G. Mazza, M. Rösner, L. Windgätter, S. Latini, H. Hübener, A. J. Millis, A. Rubio, A. Georges

Physical Review Letters 124, 197601 (2020)

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Direct evidence for efficient ultrafast charge separation in epitaxial WS₂/graphene heterostructures

S. Aeschlimann, A. Rossi, M. Chavez Cervantes, R. Krause, B. Arnoldi, B. Stadtmüller, M. Aeschlimann, S. Forti, F. Fabbri, C. Coletti, I. Gierz

Science Advances 6 (20), eaay0761 (2020)

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Effect of Alkyl Side Chain Length on Intra- and Intermolecular Interactions of Terthiophene–Isoindigo Copolymers

N. A. Tegegne, Z. Abdissa, W. Mammo, T. Uchiyama, Y. Okada-Shudo, F. Galeotti, W. Porzio, M. R. Andersson, D. Schlettwein, V. Vohra, H. Schwoerer

Journal of Physical Chemistry C 124 (18), 9644–9655 (2020)

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Berry curvature engineering by gating two-dimensional antiferromagnets

S. Du, P. Tang, J. Li, Z. Lin, Y. Xu, W. Duan, A. Rubio

Physical Review Research 2 (2), 022025(R) (2020)

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Intramolecular vibrations enhance the quantum efficiency of excitonic energy transfer

H.-G. Duan, P. Nalbach, R. J. D. Miller, M. Thorwart

Photosynthesis Research 144 (2), 137–145 (2020)

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Unique continuation for the magnetic Schrödinger equation

A. Laestadius, M. Benedicks, M. Penz

International Journal of Quantum Chemistry 120 (8), e26149 (2020)

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Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics

C. Schäfer, M. Ruggenthaler, V. Rokaj, A. Rubio

ACS Photonics 7 (4), 975–990 (2020)

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Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface

M. Jacobs, J. Krumland, A. M. Valencia, H. Wang, M. Rossi, C. Cocchi

Advances in Physics: X 5 (1), 1749883 (2020)

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Compact Ho:YLF-pumped ZnGeP₂-based optical parametric amplifiers tunable in the molecular fingerprint regime

S. Cheng, G. Chatterjee, F. Tellkamp, T. Lang, A. Ruehl, I. Hartl, R. J. D. Miller

Optics Letters 45 (8), 2255–2258 (2020)

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Quantum biology revisited

J. Cao, R. J. Cogdell, D. F. Coker, H.-G. Duan, J. Hauer, U. Kleinekathöfer, T. L. C. Jansen, T. Mančal, R. J. D. Miller, J. P. Ogilvie, V. Prokhorenko, T. Renger, H.-S. Tan, R. Tempelaar, M. Thorwart, E. Thyrhaug, S. Westenhoff, D. Zigmantas

Science Advances 6 (14), eaaz4888 (2020)

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DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

B. Hourahine, B. Aradi, V. Blum, F. Bonafé, A. Buccheri, C. Camacho, C. Cevallos, M. Y. Deshaye, T. Dumitrică, A. Dominguez, S. Ehlert, M. Elstner, T. van der Heide, J. Hermann, S. Irle, J. J. Kranz, C. Köhler, T. Kowalczyk, T. Kubař, I. S. Lee, V. Lutsker, R. J. Maurer, S. K. Min, I. Mitchell, C. Negre, T. A. Niehaus, A. M. N. Niklasson, A. J. Page, A. Pecchia, G. Penazzi, M. P. Persson, J. Řezáč, C. G. Sánchez, M. Sternberg, M. Stöhr, F. Stuckenberg, A. Tkatchenko, V. W.-z. Yu, T. Frauenheim

The Journal of Chemical Physics 152 (12), 124101 (2020)

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Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

N. Tancogne-Dejean, M. J. T. Oliveira, X. Andrade, H. Appel, C. H. Borca, G. Le Breton, F. Buchholz, A. Castro, S. Corni, A. A. Correa, U. de Giovannini, A. Delgado, F. G. Eich, J. Flick, G. Gil, A. Gomez, N. Helbig, H. Hübener, R. Jestädt, J. Jornet-Somoza, A. H. Larsen, I. V. Lebedeva, M. Lüders, M. A. L. Marques, S. T. Ohlmann, S. Pipolo, M. Rampp, C. A. Rozzi, D. A. Strubbe, S. Sato, C. Schäfer, I. Theophilou, A. Welden, A. Rubio

The Journal of Chemical Physics 152 (12), 124119 (2020)

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Journal Article

Electron–phonon-driven three-dimensional metallicity in an insulating cuprate

E. Baldini, M. A. Sentef, S. Acharya, T. Brumme, E. Sheveleva, F. Lyzwa, E. Pomjakushina, C. Bernhard, M. van Schilfgaarde, F. Carbone, A. Rubio, C. Weber

Proceedings of the National Academy of Sciences of the United States of America 117 (12), 6409–6416 (2020)

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Direct observation of nuclear reorganization driven by ultrafast spin transitions

Y. Jiang, L. C. Liu, A. Sarracini, K. M. Krawczyk, J. S. Wentzell, C. Lu, E. L. Field, S. F. Matar, W. Gawelda, H. M. Müller-Werkmeister, R. J. D. Miller

Nature Communications 11 (1), 1530 (2020)

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Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions

A. Riss, M. Richter, A. Pérez Paz, X.-Y. Wang, R. Raju, Y. He, J. Ducke, E. Corral, M. Wuttke, K. Seufert, M. Garnica, A. Rubio, J. V. Barth, A. Narita, K. Müllen, R. Berger, X. Feng, C.-A. Palma, W. Auwärter

Nature Communications 11 (1), 1490 (2020)

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Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin in the multiphoton regime and biological relevance

R. J. D. Miller, O. Paré-Labrosse, A. Sarracini, J. E. Besaw

Nature Communications 11 (1), 1240 (2020)

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Pump Frequency Resonances for Light-Induced Incipient Superconductivity in YBa₂Cu₃O_6.5

B. Liu, M. Först, M. Fechner, D. Nicoletti, J. Porras, T. Loew, B. Keimer, A. Cavalleri

Physical Review X 10 (1), 011053 (2020)

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Controllable finite-momenta dynamical quasicondensation in the periodically driven one-dimensional Fermi-Hubbard model

M. W. Cook, S. R. Clark

Physical Review A 101 (3), 033604 (2020)

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High-Resolution Crystal Truncation Rod Scattering: Application to Ultrathin Layers and Buried Interfaces

A. Disa, F. J. Walker, C. H. Ahn

Advanced Materials Interfaces 7 (6), 1901772 (2020)

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The HARE chip for efficient time-resolved serial synchrotron crystallography

P. Mehrabi, H. Müller-Werkmeister, J.-P. Leimkohl, H. Schikora, J. Ninkovic, S. Krivokuca, L. Andriček, S. W. Epp, D. Sherrell, R. L. Owen, A. R. Pearson, F. Tellkamp, E.-C. Schulz, R. J. D. Miller

Journal of Synchrotron Radiation; Wiley-Blackwell on Behalf of the IUCr 27 (2), 360–370 (2020)

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Mass Spectrometric Lipid Profiles of Picosecond Infrared Laser‐Generated Tissue Aerosols Discriminate Different Brain Tissues

M. Wurlitzer, E. Hessling, K. Rinas, M. M. Fuh, H. Petersen, F. Ricklefs, K. Lamszus, J. Regelsberger, S. Maier, S. Kruber, N.-O. Hansen, R. J. D. Miller, H. Schlüter

Lasers in Surgery and Medicine 52 (3), 228–234 (2020)

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Journal Article

One-dimensional flat bands in twisted bilayer germanium selenide

D. M. Kennes, L. D. Xian, M. Claassen, A. Rubio

Nature Communications 11 (1), 1124 (2020)

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Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy from two-dimensional materials

M. Schüler, U. de Giovannini, H. Hübener, A. Rubio, M. A. Sentef, P. Werner

Science Advances 6 (9), eaay2730 (2020)

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Covalent C–N Bond Formation through a Surface Catalyzed Thermal Cyclodehydrogenation

I. Piskun, R. Blackwell, J. Jornet-Somoza, F. Zhao, A. Rubio, S. G. Louie, F. R. Fischer

Journal of the American Chemical Society 142 (8), 3696–3700 (2020)

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Serial protein crystallography in an electron microscope

R. Bücker, P. Hogan-Lamarre, P. Mehrabi, E.-C. Schulz, L. Bultema, Y. Gevorkov, W. Brehm, O. Yefanov, D. Oberthür, G. Kassier, R. J. D. Miller

Nature Communications 11 (1), 996 (2020)

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Universal slow plasmons and giant field enhancement in atomically thin quasi-two-dimensional metals

F. H. da Jornada, L. D. Xian, A. Rubio, S. G. Louie

Nature Communications 11 (1), 1013 (2020)

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Mapping Atomic Motions with Electrons: Toward the Quantum Limit to Imaging Chemistry

Z. Li, S. Gyawali, A. A. Ischenko, S. A. Hayes, R. J. D. Miller

ACS Photonics 7 (2), 296–320 (2020)

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Attosecond timing of the dynamical Franz–Keldysh effect

M. Lucchini, S. Sato, F. Schlaepfer, K. Yabana, L. Gallmann, A. Rubio, U. Keller

Journal of Physics: Photonics 2 (2), 025001 (2020)

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Loschmidt-amplitude wave function spectroscopy and the physics of dynamically driven phase transitions

D. M. Kennes, C. Karrasch, A. J. Millis

Physical Review B 101 (8), 081106 (2020)

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Observation of a Charge-Neutral Muon-Polaron Complex in Antiferromagnetic Cr₂O₃

M. H. Dehn, J. K. Shenton, S. Holenstein, Q. N. Meier, D. J. Arseneau, D. L. Cortie, B. Hitti, A. C. Y. Fang, W. A. MacFarlane, R. M. L. McFadden, G. D. Morris, Z. Salman, H. Luetkens, N. A. Spaldin, M. Fechner, R. F. Kiefl

Physical Review X 10 (1), 011036 (2020)

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Time-Dependent Magnons from First Principles

N. Tancogne-Dejean, F. G. Eich, A. Rubio

Journal of Chemical Theory and Computation 16 (2), 1007–1017 (2020)

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All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals

C. Liu, J. Kloppenburg, Y. Yao, X. Ren, H. Appel, Y. Kanai, V. Blum

The Journal of Chemical Physics 152 (4), 044105 (2020)

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High-harmonic generation from spin-polarised defects in solids

M. S. Mrudul, N. Tancogne-Dejean, A. Rubio, G. Dixit

Npj Computational Materials 6 (1), 10 (2020)

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Nonadiabatic Electron Dynamics in Tunneling Junctions: Lattice Exchange-Correlation Potential

F. Covito, A. Rubio, F. G. Eich

Journal of Chemical Theory and Computation 16 (1), 295–301 (2020)

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Mixed 4f population of Tm adatoms on insulating Cu₂N islands

D. Coffey, C. de la Fuente, M. Ciria, D. Serrate, S. Loth, J. I. Arnaudas

Physical Chemistry Chemical Physics 22 (1), 196–202 (2020)

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Floquet analysis of excitations in materials

U. de Giovannini, H. Hübener

JPhys Materials 3 (1), 012001 (2020)

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Entanglement and spectra in topological many-body localized phases

K. S. C. Decker, D. M. Kennes, J. Eisert, C. Karrasch

Physical Review B 101 (1), 014208 (2020)

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Dissociation and localization dynamics of charge transfer excitons at a donor-acceptor interface

H.-G. Duan, A. Jha, V. Tiwari, R. J. D. Miller, M. Thorwart

Chemical Physics 528, 110525 (2020)

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Mapping the age of ice of Gauligletscher combining surface radionuclide contamination and ice flow modeling

G. Jouvet, S. Röllin, H. Sahli, J. Corcho, L. Gnägi, L. Compagno, D. Sidler, M. Schwikowski, A. Bauder, M. Funk

The Cryosphere 14 (11), 4233–4251 (2020)

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Light-induced anomalous Hall effect in graphene

J. W. McIver, B. Schulte, F.-U. Stein, T. Matsuyama, G. Jotzu, G. Meier, A. Cavalleri

Nature Physics 16 (1), 38–41 (2020)

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Light-induced anomalous Hall effect in graphene

J. W. McIver, B. Schulte, F.-U. Stein, T. Matsuyama, G. Jotzu, G. Meier, A. Cavalleri

Nature Physics 16 (1), 38–41 (2020)

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Exact exchange-correlation potential of effectively interacting Kohn-Sham systems

S. Sato, A. Rubio

Physical Review A 101 (1), 012510 (2020)

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