Publikationen

pre-print

2024

Zeitschriftenartikel

Reliable quantification of uncertainties: the biggest challenge for data-centric materials modelling?

L. M. Ghiringhelli, M. Rossi

Modelling and Simulation in Materials Science and Engineering 32 (6), 13–15 (2024)

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Zeitschriftenartikel

Towards efficient and accurate input for data-driven materials science from large-scale all-electron density functional theory (DFT) simulations

S. Kokott, A. Marek, F. Merz, P. Karpov, C. Carbogno, M. Rossi, M. Rampp, V. Blum, M. Scheffler

Modelling and Simulation in Materials Science and Engineering 32 (6), 28–31 (2024)

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Zeitschriftenartikel

Symmetry-driven anisotropic coupling effect in antiferromagnetic topological insulator: Mechanism for a quantum anomalous Hall state with a high Chern number

Y. Fan, H. Wang, P. Tang, S. Murakami, X. Wan, H. Zhang, D. Xing

Physical Review B 110 (3), 035139 (2024)

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Zeitschriftenartikel

Atomic-scale perspective on individual thiol-terminated molecules anchored to single S vacancies in MoS₂

J. R. Simon, D. Maksimov, C. Lotze, P. Wiechers, J. P. G. Felipe, B. Kobin, J. Schwarz, S. Hecht, K. J. Franke, M. Rossi

Physical Review B 110 (4), 045407 (2024)

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Zeitschriftenartikel

Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms

S. Kokott, F. Merz, Y. Yao, C. Carbogno, M. Rossi, V. Havu, M. Rampp, M. Scheffler, V. Blum

The Journal of Chemical Physics 161 (2), 024112 (2024)

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Zeitschriftenartikel

Competition between d-wave superconductivity and magnetism in uniaxially strained Sr₂RuO₄

J. B. Profe, S. Beck, D. M. Kennes, A. Georges, O. Gingras

npj Quantum Materials 9 (1), 53 (2024)

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O. Neufeld, N. Tancogne-Dejean, A. Rubio

Zeitschriftenartikel

Benchmarking Functionals for Strong-Field Light-Matter Interactions in Adiabatic Time-Dependent Density Functional Theory

The Journal of Physical Chemistry Letters 15 (28), 7254–7264 (2024)

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Zeitschriftenartikel

Hot electron effect in high-order harmonic generation from graphene driven by elliptically polarized light

K. Nakagawa, W. Mao, S. Sato, H. Ago, A. Rubio, Y. Kanemitsu, H. Hirori

APL Photonics 9 (7), 076107 (2024)

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Zeitschriftenartikel

Hidden Charge Order and Multiple Electronic Instabilities in EuTe4

K. Xiao, W.-H. Dong, X. Wang, J. Yu, D. Fu, Z. Hu, Y. Guo, Q. Zhang, X. Hou, Y. Guo, L. Yang, Y. Xu, P. Tang, W. Duan, Q. Xue, W. Li

Nano Letters 24 (25), 7681–7687 (2024)

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Zeitschriftenartikel

A size-consistent multi-state mapping approach to surface hopping

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

The Journal of Chemical Physics 160 (24), 244112 (2024)

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Zeitschriftenartikel

Nonlinear Current Injection in Hexagonal Boron Nitride using Linearly Polarized Light in a Deeply Off-Resonant Regime

W. Mao, A. Rubio, S. Sato

Advanced Optical Materials, 2400651 (2024)

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Zeitschriftenartikel

Regioselective On-Surface Synthesis of [3]Triangulene Graphene Nanoribbons

M. C. Daugherty, P. H. Jacobse, J. Jiang, J. Jornet-Somoza, R. Dorit, Z. Wang, J. Lu, R. McCurdy, W. Tang, A. Rubio, S. G. Louie, M. F. Crommie, F. R. Fischer

Journal of the American Chemical Society 146 (23), 15879–15886 (2024)

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Zeitschriftenartikel

Quantum materials engineering by structured cavity vacuum fluctuations

H. Hübener, E. Viñas Boström, M. Claassen, S. Latini, A. Rubio

Materials for Quantum Technology 4 (2), 023002 (2024)

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Zeitschriftenartikel

An antiferromagnetic spin phase change memory

H. Yan, H. Mao, P. Qin, J. Wang, H. Liang, X. Zhou, X. Wang, H. Chen, Z. Meng, L. Liu, G. Zhao, Z. Duan, Z. Zhu, B. Fang, Z. Zeng, A. A. Bettiol, Q. Zhang, P. Tang, C. Jiang, Z. Liu

Nature Communications 15 (1), 4978 (2024)

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ZIP

Zeitschriftenartikel

Modeling the electroluminescence of atomic wires from quantum dynamics simulations

C. Bustamante, T. Todorov, E. D. Gadea, F. Tarasi, L. Stella, A. Horsfield, D. A. Scherlis

The Journal of Chemical Physics 160 (21), 214102 (2024)

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Zeitschriftenartikel

Testing the Renormalization of the von Klitzing Constant by Cavity Vacuum Fields

J. Enkner, L. Graziotto, F. Appugliese, V. Rokaj, J. Wang, M. Ruggenthaler, C. Reichl, W. Wegscheider, A. Rubio, J. Faist

Physical Review X 14 (2), 021038 (2024)

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Zeitschriftenartikel

Tracking electron motion within and outside of Floquet bands from attosecond pulse trains in time-resolved ARPES

O. Neufeld, H. Hübener, U. de Giovannini, A. Rubio

Journal of Physics: Condensed Matter 36 (22), 225401 (2024)

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Zeitschriftenartikel

Chirality-Dependent Dynamic Evolution for Trions in Monolayer WS₂

B. Xiang, R. Wang, Y. Chen, Y. Wang, T. Qin, M. Zhang, K. Watanabe, T. Taniguchi, W. Duan, P. Tang, H. Liu, Q. Xiong

Nano Letters 24 (22), 6592–6600 (2024)

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Zeitschriftenartikel

Terahertz parametric amplification as a reporter of exciton condensate dynamics

S. R. U. Haque, M. H. Michael, J. Zhu, Y. Zhang, L. Windgätter, S. Latini, J. P. Wakefield, G.-F. Zhang, J. Zhang, A. Rubio, J. G. Checkelsky, E. Demler, R. D. Averitt

Nature Materials 23 (6), 796–802 (2024)

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