Publications

Journal Article

Optical properties and exciton transfer between N-heterocyclic carbene iridium(III) complexes for blue light-emitting diode applications from first principles

I. V. Lebedeva, J. Jornet-Somoza

The Journal of Chemical Physics 160 (8), 084107 (2024)

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Journal Article

Distinct switching of chiral transport in the kagome metals KV₃Sb₅ and CsV₃Sb₅

C. Guo, M. R. van Delft, M. Gutierrez-Amigo, D. Chen, C. Putzke, G. Wagner, M. H. Fischer, T. Neupert, I. Errea, M. G. Vergniory, S. Wiedmann, C. Felser, P. J. W. Moll

Npj Quantum Materials 9, 20 (2024)

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Journal Article

High-Order Harmonic Generation in Solids: The Role of Intraband Transitions in Extreme Nonlinear Optics

H. Hirori, S. Sato, Y. Kanemitsu

The Journal of Physical Chemistry Letters 15 (8), 2184–2192 (2024)

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Journal Article

Doping-dependent charge- and spin-density wave orderings in a monolayer of Pb adatoms on Si(111)

M. Vandelli, A. Galler, A. Rubio, A. I. Lichtenstein, S. Biermann, E. A. Stepanov

Npj Quantum Materials 9, 19 (2024)

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Journal Article

Ab initio electron-lattice downfolding: Potential energy landscapes, anharmonicity, and molecular dynamics in charge density wave materials

A. Schobert, J. Berges, E. G. C. P. van Loon, M. A. Sentef, S. Brener, M. Rossi, T. O. Wehling

SciPost Physics 16, 046 (2024)

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Journal Article

divERGe implements various Exact Renormalization Group examples

J. B. Hauck, D. M. Kennes, L. Klebl

SciPost Physics Codebases 26 (2024)

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Journal Article

Machine learning based classification of vector field configurations

S. A. Pathak, K. Rahir, S. Holt, M. Lang, H. Fangohr

AIP Advances 14 (2), 025004 (2024)

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Journal Article

An electropneumatic cleaning device for piezo-actuator-driven picolitre-droplet dispensers

A. Berkes, S. Kleine-Doepke, J.-P. Leimkohl, H. Schikora, P. Mehrabi, F. Tellkamp, E.-C. Schulz

Journal of Applied Crystallography 57 (1), 209–214 (2024)

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Journal Article

Frustrated magnetism in octahedra-based Ce₆Ni₆P₁₇

D. G. Franco, R. Avalos, D. Hafner, K. A. Modic, Y. Prots, O. Stockert, A. Hoser, P. J. W. Moll, M. Brando, A. A. Aligia, C. Geibel

Physical Review B 109 (5), 054405 (2024)

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Journal Article

Selective Interfacial Excited-State Carrier Dynamics And Efficient Charge Separation in Borophene-based Heterostructures

Y. Kang, K. Yang, J. Fu, Z. Wang, X. Li, Z. Lu, J. Zhang, H. Li, J. Zhang, W. Ma

Advanced Materials 36 (5), 2307591 (2024)

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Journal Article

Nonlinear optovibronics in molecular systems

Q. Zhang, M. Asjad, M. Reitz, C. Sommer, B. Gurlek, C. Genes

Physical Review A 109 (2), 023714 (2024)

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Journal Article

Functionalizing Janus-structured Ti₂B₂ unveils exceptional capacity and performance in lithium-ion battery anodes

Z. Lu, Y. Kang, Y. Du, X. Ma, W. Ma, J. Zhang

Journal of Colloid and Interface Science 661, 662–670 (2024)

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Journal Article

Vision for unified micromagnetic modeling (UMM) with Ubermag

H. Fangohr, M. Lang, S. Holt, S. A. Pathak, K. Zulfiqar, M. Beg

AIP Advances 14 (1), 015138 (2024)

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Journal Article

Ab Initio Calculations of Quantum Light–Matter Interactions in General Electromagnetic Environments

M. K. Svendsen, K. S. Thygesen, A. Rubio, J. Flick

Journal of Chemical Theory and Computation 20 (2), 926–936 (2024)

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Journal Article

Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies

K. Lively, S. Sato, G. Albareda Piquer, A. Rubio, A. Kelly

Physical Review Research 6 (1), 013069 (2024)

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Journal Article

Microscopic theory of current-induced skyrmion transport and its application in disordered spin textures

E. Östberg, E. Viñas Boström, C. Verdozzi

Frontiers in Physics 11, 1340288 (2024)

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Journal Article

Two-dimensional heavy fermions in the van der Waals metal CeSiI

V. A. Posey, S. Turkel, M. Rezaee, A. Devarakonda, A. K. Kundu, C. S. Ong, M. Thinel, D. G. Chica, R. A. Vitalone, R. Jing, S. Xu, D. R. Needell, E. Meirzadeh, M. L. Feuer, A. Jindal, X. Cui, T. Valla, P. Thunström, T. Yilmaz, E. Vescovo, D. Graf, X. Zhu, A. Scheie, A. F. May, O. Eriksson, D. N. Basov, C. R. Dean, A. Rubio, P. Kim, M. E. Ziebel, A. J. Millis, A. N. Pasupathy, X. Roy

Nature 625 (7995), 483–488 (2024)

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Journal Article

Optically induced umklapp shift currents in striped cuprates

P. E. Dolgirev, M. H. Michael, J. B. Curtis, D. E. Parker, D. Nicoletti, M. Buzzi, M. Fechner, A. Cavalleri, E. Demler

Physical Review B 109 (4), 045150 (2024)

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Journal Article

Enhancement of high-order harmonic generation in graphene by mid-infrared and terahertz fields

W. Mao, A. Rubio, S. Sato

Physical Review B 109 (4), 045421 (2024)

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Journal Article

Pressure-induced flat bands in one-dimensional moiré superlattices of collapsed chiral carbon nanotubes

X. Zhou, Y. Chen, J. Chen, C. Hu, B. Lyu, K. Xu, S. Lou, P. Shen, S. Ma, Z. Wu, Y. Xie, Z. Zhang, Z. Lü, W. Luo, Q. Liang, L. D. Xian, G. Zhang, Z. Shi

Physical Review B 109 (4), 045105 (2024)

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Journal Article

Exchange energies with forces in density-functional theory

N. Tancogne-Dejean, M. Penz, A. Laestadius, M. A. Csirik, M. Ruggenthaler, A. Rubio

The Journal of Chemical Physics 160 (2), 024103 (2024)

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Journal Article

Observation of a single protein by ultrafast X-ray diffraction

T. Ekeberg, D. Assalauova, J. Bielecki, R. Boll, B. J. Daurer, L. A. Eichacker, L. E. Franken, D. E. Galli, L. Gelisio, L. Gumprecht, L. H. Gunn, J. Hajdu, R. Hartmann, D. Hasse, A. Ignatenko, J. Koliyadu, O. Kulyk, R. Kurta, M. Kuster, W. Lugmayr, J. Lübke, A. P. Mancuso, T. Mazza, C. Nettelblad, Y. Ovcharenko, D. E. Rivas, M. Rose, A. K. Samanta, P. Schmidt, E. Sobolev, N. Timneanu, S. Usenko, D. Westphal, T. Wollweber, L. Worbs, P. L. Xavier, H. Yousef, K. Ayyer, H. N. Chapman, J. A. Sellberg, C. Seuring, I. A. Vartanyants, J. Küpper, M. Meyer, F. R. N. C. Maia

Light: Science & Applications 13, 15 (2024)

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Journal Article

Recovering Marcus Theory Rates and Beyond without the Need for Decoherence Corrections: The Mapping Approach to Surface Hopping

J. E. Lawrence, J. Mannouch, and J. O. Richardson

The Journal of Physical Chemistry Letters 15 (3), 707–716 (2024)

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Journal Article

Machine-learning-based detection of spin structures

I. Labrie-Boulay, T. B. Winkler, D. Franzen, A. Romanova, H. Fangohr, M. Kläui

Physical Review Applied 21 (1), 014014 (2024)

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Journal Article

Tip Growth of Quasi-Metallic Bilayer Graphene Nanoribbons with Armchair Chirality

S. Lou, B. Lyu, J. Chen, X. Zhou, W. Jiang, L. Qiu, P. Shen, S. Ma, Z. Zhang, Y. Xie, Z. Wu, Y. Chen, K. Xu, Q. Liang, K. Watanabe, T. Taniguchi, L. D. Xian, G. Zhang, W. Ouyang, F. Ding, Z. Shi

Nano Letters 24 (1), 156–164 (2024)

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Journal Article

Spin and charge fluctuation induced pairing in ABCB tetralayer graphene

A. Fischer, L. Klebl, J. B. Hauck, A. Rothstein, L. Waldecker, B. Beschoten, T. O. Wehling, D. M. Kennes

Physical Review Research 6 (1), L012003 (2024)

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Journal Article

Coarse-graining collective skyrmion dynamics in confined geometries

T. B. Winkler, J. Rothörl, M. A. Brems, G. Beneke, H. Fangohr, M. Kläui

Applied Physics Letters 124 (2), 022403 (2024)

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Journal Article

Light-Induced Ideal Weyl Semimetal in HgTe via Nonlinear Phononics

D. Shin, A. Rubio, P. Tang

Physical Review Letters 132 (1), 016603 (2024)

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Journal Article

A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in MX₂ (M = Mo, W; X = S, Se) Monolayers

A. Akkoush, Y. Litman, M. Rossi

Physica Status Solidi A 221 (1), 2300180 (2024)

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Journal Article

STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials

P. Hogan-Lamarre, Y. Luo, R. Bücker, R. J. D. Miller, X. Zou

IUCrJ 11 (1), 62–72 (2024)

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Journal Article

All-electric writing of a chiral quantum memory

P. J. W. Moll

Nature Materials 23 (1), 35–36 (2024)

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Journal Article

On the Role of Nuclear Motion in Singlet Exciton Fission: The Case of Single-Crystal Pentacene

A. Neef, M. Rossi, M. Wolf, R. Ernstorfer, H. Seiler

Physica Status Solidi A 221 (1), 2300304 (2024)

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Journal Article

New aerodynamic lens injector for single particle diffractive imaging

N. Roth, D. A. Horke, J. Lübke, A. K. Samanta, A. D. Estillore, L. Worbs, N. Pohlman, K. Ayyer, A. Morgan, H. Fleckenstein, M. Domaracky, B. Erk, C. Passow, J. Correa, O. Yefanov, A. Barty, S. Bajt, R. A. Kirian, H. N. Chapman, J. Küpper

Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 1058, 168820 (2024)

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pre-print

2023

Journal Article

Roadmap for focused ion beam technologies

K. Höflich, G. Hobler, F. I. Allen, T. Wirtz, G. Rius, L. McElwee-White, A. V. Krasheninnikov, M. Schmidt, I. Utke, N. Klingner, M. Osenberg, R. Córdoba, F. Djurabekova, I. Manke, P. J. W. Moll, M. Manoccio, J. M. De Teresa, L. Bischoff, J. Michler, O. De Castro, A. Delobbe, P. Dunne, O. V. Dobrovolskiy, N. Frese, A. Gölzhäuser, P. Mazarov, D. Koelle, W. Möller, F. Pérez-Murano, P. Philipp, F. Vollnhals, G. Hlawacek

Applied Physics Reviews 10 (4), 041311 (2023)

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Journal Article

Mapping Light-Dressed Floquet Bands by Highly Nonlinear Optical Excitations and Valley Polarization

A. Galler, A. Rubio, O. Neufeld

The Journal of Physical Chemistry Letters 14 (50), 11298–11304 (2023)

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Journal Article

Skyrmion automotion and readout in confined counter-sensor device geometries

K. Leutner, T. B. Winkler, R. Gruber, R. Frömter, J. Güttinger, H. Fangohr, M. Kläui

Physical Review Applied 20 (6), 064021 (2023)

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Journal Article

Tunable Tesla-Scale Magnetic Attosecond Pulses through Ring-Current Gating

A. d. l. Heras, F. Bonafé, C. Hernández-García, A. Rubio, O. Neufeld

The Journal of Physical Chemistry Letters 14 (49), 11160–11167 (2023)

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Journal Article

Floquet engineering in quantum materials

B. Chang-Hua, F. Ben-Shu, P. Tang, D. Wen-Hui, Z. Shu-Yun

Acta Physica Sinica 72 (23), 234202 (2023)

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Journal Article

Short Versus Long Range Exchange Interactions in Twisted Bilayer Graphene

A. Jimeno-Pozo, Z. A. H. Goodwin, P. A. Pantaleón, V. Vitale, L. Klebl, D. M. Kennes, A. Mostofi, J. Lischner, F. Guinea

Advanced Physics Research 2 (12), 2300048 (2023)

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Journal Article

Quadrupolar–dipolar excitonic transition in a tunnel-coupled van der Waals heterotrilayer

W. Li, Z. Hadjri, L. M. Devenica, J. Zhang, S. Liu, J. Hone, K. Watanabe, T. Taniguchi, A. Rubio, A. Srivastava

Nature Materials 22 (12), 1478–1484 (2023)

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pre-print

Journal Article

PT-symmetric, non-Hermitian quantum many-body physics—a methodological perspective

V. Meden, L. Grunwald, D. M. Kennes

Reports on Progress in Physics 86 (12), 124501 (2023)

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pre-print

Journal Article

High-harmonic spectroscopy of low-energy electron-scattering dynamics in liquids

A. Mondal, O. Neufeld, Z. Yin, Z. Nourbakhsh, V. Svoboda, A. Rubio, N. Tancogne-Dejean, H. J. Wörner

Nature Physics 19 (12), 1813–1820 (2023)

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Journal Article

Resonant enhancement of photo-induced superconductivity in K₃C₆₀

E. Rowe, B. Yuan, M. Buzzi, G. Jotzu, Y. Zhu, M. Fechner, M. Först, B. Liu, D. Pontiroli, M. Riccò, A. Cavalleri

Nature Physics 19 (12), 1821–1826 (2023)

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Journal Article

Self-interaction correction schemes for non-collinear spin-density-functional theor

N. Tancogne-Dejean, M. Lüders, C. A. Ullrich

The Journal of Chemical Physics 159 (22), 224110 (2023)

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Journal Article

A functional-analysis derivation of the parquet equation

C. Eckhardt, P. Kappl, A. Kauch, K. Held

SciPost Physics 15 (5), 203 (2023)

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Journal Article

Phonon-enhanced nonlinearities in hexagonal boron nitride

J. S. Ginsberg, M. M. Jadidi, J. Zhang, C. Y. Chen, N. Tancogne-Dejean, S. H. Chae, G. N. Patwardhan, L. D. Xian, K. Watanabe, T. Taniguchi, J. Hone, A. Rubio, A. L. Gaeta

Nature Communications 14 (1), 7685 (2023)

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Journal Article

Non-Linear Optics at Twist Interfaces in h-BN/SiC Heterostructures

A. Biswas, R. Xu, G. A. Alvarez, J. Zhang, J. Christiansen-Salameh, A. B. Puthirath, K. Burns, J. A. Hachtel, T. Li, S. A. Iyengar, T. Gray, C. Li, X. Zhang, H. Kannan, J. Elkins, T. S. Pieshkov, R. Vajtai, A. G. Birdwell, M. R. Neupane, E. J. Garratt, T. Ivanov, B. B. Pate, Y. Zhao, H. Zhu, Z. Tian, A. Rubio, P. M. Ajayan

Advanced Materials 35 (47), 2304624 (2023)

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post-print

Journal Article

Enhancing high harmonic generation in GaAs by elliptically polarized light excitation

F. Sekiguchi, M. Sakamoto, K. Nakagawa, H. Tahara, S. Sato, H. Hirori, Y. Kanemitsu

Physical Review B 108 (20), 205201 (2023)

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Journal Article

Cost-Efficient High-Resolution Linear Absorption Spectra through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory

E. Hauge, H. E. Kristiansen, L. Konecny, M. Kadek, M. Repisky, T. B. Pedersen

Journal of Chemical Theory and Computation 19 (21), 7764–7775 (2023)

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