MPSD Publications

Journal Article

Enhancing measurement precision of non-degenerate two-photon absorption

G. Shukla, S. Panahiyan, D. K. Mishra, F. Schlawin

Quantum Science and Technology 11 (4), 045050 (2026)

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Journal Article

Mechanical Sensing of Metamagnetic Tricriticality in Two-Dimensional CrI₃

F. Liu, T. Luo, X. Wu, J. Xiao, X. J. Xu, S. Jiang, K. F. Mak, J. Shan

Physical Review Letters 137 (11), 116708 (2026)

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Journal Article

Coherent terahertz magnon-phonon three-wave mixing in a layered antiferromagnet

L. Li, N. Wu, Z. Lin, Z. Li, L. Liu, E. Viñas Boström, Y. Wan, X. Wang, J. Luo, F. Liu, A. Rubio, Q. Zhang

Nature Communications 17 (1), 9507 (2026)

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Journal Article

Enhanced third-harmonic response of the PtTe₂ transition metal dichalcogenide

L. Di Mauro Villari, S. Grillo, O. Pulci, S. Macis, S. Lupi, A. Marini

EPL (Europhysics Letters) 155 (6), 65001 (2026)

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Journal Article

Attosecond tuning of coherent electron dynamics in doped semiconductors

G. Inzani, A. Eskandari-asl, G. L. Dolso, N. Di Palo, B. Moio, A. Lamperti, A. Molle, G. Isella, J. Frigerio, E. Napolitani, D. De Salvador, R. Borrego-Varillas, M. Nisoli, A. Avella, S. Sato, M. Lucchini

Nature Photonics 20 (9), 1013–1020 (2026)

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Journal Article

Optically induced Faraday–Goldstone waves

D. Kaplan, P. A. Volkov, A. Cavalleri, P. Chandra

Proceedings of the National Academy of Sciences of the United States of America 123 (35), e2535297123 (2026)

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Journal Article

Simple and robust aqueous sheet jets in vacuum

P. E. Konold, A. Ansari, D. Westphal, P. Adams, R. Letrun, J. Valerio, J. Bielecki, R. C. Alvarez, S. Bódizs, K. Dörner, G. Ducrocq, L. Grunewald, K. Kharitonov, C. Kim, M. Kloos, A. Králová, T. Larkiala, M. Maihöfer, D. Manatou, R. Mehlig, D. V. M. Melo, P. Meszaros, L. Monrroy, T. Sato, R. Schubert, P. Smyth, E. Sobolev, F. Trost, R. de Wijn, L. Worbs, T. V. Yenupuri, T. You, J. Schulz, R. Bean, K. Ayyer, M. A. D. Martin, H. Kirst, H. Grubmüller, S. Westenhoff, R. A. Kirian, F. R. N. C. Maia

IUCrJ 13 (5), 659–667 (2026)

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Journal Article

Festkörperphysik: Mehr Strom durch weniger Metall

J. Seo, P. J. W. Moll

Physik in Unserer Zeit 57 (5), 200–201 (2026)

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Journal Article

Correlated electrons extend X-ray high-harmonic generation beyond the single-electron limit

S. Wang, J. Yan, A. de las Heras, S. Song, A. Prodanov, Z. Wu, L. Plaja, D. Popmintchev, T. Popmintchev

Nature Photonics 20 (9), 1092–1098 (2026)

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Journal Article

Field-resolved observation of exciton coherence in a van der Waals magnet

M. Yeung, A. von Hoegen, E. Viñas Boström, F. Zhao, F. Ritzkowsky, J. B. Maier, G. L. Dolso, C. Heide, D. G. Chica, X. Roy, K. K. Berggren, A. Rubio, P. D. Keathley, N. Gedik

Nature Materials 25 (9), 1557–1563 (2026)

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Journal Article

Flux-Floquet Instability in Fluctuating Superconductors

M. Michael, D. De Santis, E. A. Demler, P. A. Lee

Physical Review X 16 (3), 031055 (2026)

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Journal Article

Long-Range Machine Learning of Electron Density for Twisted Bilayer Moiré Materials

Z. Lou, A. M. Lewis, M. Rossi

PRX Intelligence 1 (1), 013015 (2026)

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Journal Article

Toward Accurate RIXS Spectra at Heavy Element Edges: A Relativistic Four-Component and Exact Two-Component TDDFT Approach

L. Konecny, M. A. Dada, D. R. Nascimento, M. Repisky

Journal of Chemical Theory and Computation 22 (16), 8441–8452 (2026)

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Journal Article

Testing electron–photon exchange–correlation functional performance for many-electron systems under weak and strong light–matter coupling

I. Ahmadabadi, I.-T. Lu, L. A. Cunha, M. Ruggenthaler, J. Flick, A. Rubio

The Journal of Chemical Physics 165 (7), 074102 (2026)

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Journal Article

Ferroelectric-assisted charge-transfer plasmons in graphene/CuInP₂S₆

Y. Shao, H. Y. Lee, J. Zhang, S. L. Moore, S. Zhou, C. Drew, A. Rajendran, J. Amontree, T. P. Darlington, D. G. Chica, C.-Y. Huang, S. H. Lee, S. Sarker, K. Watanabe, T. Taniguchi, V. Gopalan, Z. Mao, X.-Y. Zhu, X. Roy, P. J. Schuck, A. Rubio, J. C. Hone, D. N. Basov

Nature Communications (2026)

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Journal Article

Unified ab initio quantum-electrodynamical density functional theory for cavity-modified electron-phonon-photon coupling in solids

B. Fan, I.-T. Lu, M. Ruggenthaler, A. Rubio

Physical Review B 114 (10), 105111 (2026)

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Journal Article

Comparative study of perturbative and nonequilibrium Green’s function approaches for Floquet sidebands in periodically driven quantum systems

K. Gadge, M. Merboldt, M. Schüler, J. P. Bange, W. Bennecke, M. A. Sentef, M. Reutzel, S. Mathias, S. R. Manmana

Physical Review B 114 (12), 125402 (2026)

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Journal Article

Magnetization of Electronic Ground States in Frustrated Superstable Graphs

F. P. M. Méndez-Córdoba, J. Tindall, D. Jaksch, F. Schlawin

Physical Review Letters 137 (7), 076501 (2026)

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Journal Article

Non-adiabatic perturbation theory of the exact factorization

M. W.-Y. Tu, E. K. U. Gross

The Journal of Chemical Physics 165 (6), 064112 (2026)

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Journal Article

The piezochiral effect

Z. Zeng, M. Först, M. Fechner, X. Deng, A. Cavalleri, P. G. Radaelli

Nature 656 (8127), 338–342 (2026)

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Journal Article

Pulse-Duration-Sensitive High Harmonics and Attosecond Locally Chiral Near Fields from a Chiral Topological Weyl Semimetal

A. de las Heras, Z. Nie, S. Pal, U. de Giovannini, O. Neufeld, A. Rubio

Nano Letters 26 (30), 9722–9731 (2026)

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Journal Article

Continuous unitary transformations using tensor network representations access the full many-body localized spectrum

Q. Liu, J.-N. Herre, D. M. Kennes, C. Karrasch

Physical Review B 144 (9), 094203 (2026)

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Journal Article

Tracking electrons at the space-time limit

S. Maier, R. Spachtholz, K. Glöckl, C. Bustamante, S. Lingl, M. Maczejka, J. Schön, A. Riedel, K. Richter, F. J. Giessibl, F. Bonafé, M. A. Huber, A. Rubio, J. Repp, R. Huber

Nature Photonics 20 (8), 961–967 (2026)

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Journal Article

Ultimate resolution limits in coherent anti-Stokes Raman scattering imaging

G. Sorelli, M. Gessner, F. Schlawin

Optica Quantum 4 (4), 366–373 (2026)

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Journal Article

Linear and Nonlinear Vibrational Excitations Driven by Molecular Polaritons

W. Ying, C. Bustamante, F. Bonafé, R. Richardson, M. Ruggenthaler, M. Sukharev, A. Rubio, A. Nitzan

Journal of Chemical Theory and Computation 22 (14), 7082–7095 (2026)

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Journal Article

Enhanced multiphoton ionization driven by quantum light

V. Kosheleva, S. Panahiyan, A. Rubio, F. Schlawin

Physical Review Research 8 (3), 033106 (2026)

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Journal Article

Parametrically amplified Josephson plasma waves in YBa₂Cu₃O_6+x: Evidence for local superconducting fluctuations up to the pseudogap temperature T^∗

M. H. Michael, E. Demler, P. Lee

Proceedings of the National Academy of Sciences of the United States of America 123 (29), e2606129123 (2026)

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Journal Article

Mixed quantum–classical simulations of intramolecular singlet fission

R. Smorka, J. E. Runeson, M. Thoss, S. R. Reddy, P. B. Coto, J. Mannouch, J. O. Richardson

The Journal of Chemical Physics 165 (3), 034302 (2026)

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Journal Article

Many-body correlations in Floquet steady states: Frequency-resolved renormalization group of the driven Anderson impurity

J.-N. Herre, C. Karrasch, D. M. Kennes

Physical Review B 114 (5), 055113 (2026)

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Journal Article

Emergent interacting phases in the strong-coupling limit of twisted M-valley moiré systems: Application to SnSe₂

M.-R. Li, D. Calugaru, Y. Jiang, H. Pi, A. Fischer, H. Schlömer, L. Klebl, M. G. Vergniory, D. M. Kennes, K. F. Mak, J. Shan, S. A. Parameswaran, H. Yao, B. A. Bernevig, H. Hu

Physical Review B 114 (5), L051113 (2026)

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Journal Article

Perspective on a challenge: Predicting the photochemistry of cyclobutanone

J. Janoš, N. H. List, A. J. Orr-Ewing, J. Suchan, M. Barbatti, O. Bennett, M. Brady, J. Carmona-García, R. Crespo-Otero, J. Eng, O. J. Fajen, M. Garavelli, S. Gómez, A. E. Green, F. J. Hernández, D. Hollas, L. Hutton, L. M. Ibele, A. Kirrander, Z. Lan, Y. Lassmann, J. E. Lawrence, B. G. Levine, D. V. Makhov, J. Mannouch, X. Miao, R. Mitrić, S. M. Parker, T. J. Penfold, J. Peng, J. O. Richardson, D. Shalashilin, P. Slavíček, K. E. Spinlove, P. Vindel-Zandbergen, F. Agostini, S. Bonella, T. J. Martínez, G. A. Worth, B. F. E. Curchod

The Journal of Chemical Physics 165 (2), 020902 (2026)

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Journal Article

Constructing density functional tight-binding parameters for electronic structure modeling of lead-bromide perovskites, perovskitoids, and related structures

J. Jiang, T. van der Heide, S. Thébaud, C. R. Lien-Medrano, A. Fihey, L. Pedesseau, C. Quarti, M. Zacharias, G. Volonakis, M. Kepenekian, B. Aradi, M. A. Sentef, J. Even, C. Katan

The Journal of Chemical Physics 165 (2), 024117 (2026)

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Journal Article

Antiscreening and exciton binding in quasi-one-dimensional systems

F. Bechstedt, S. Grillo, O. Pulci, P. Gori

Applied Physics Letters 129 (1), 013104 (2026)

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Journal Article

An exciting Approach to Theoretical Spectroscopy

M. Raya‐Moreno, A. Buccheri, N. A. Dasch, N. Farahani, I. Gonzalez Oliva, A. Gulans, S. Hong, M. Hossain, H. Kleine, M. Kuban, S. Lubeck, B. Maurer, P. Pavone, F. Peschel, D. Popova‐Gorelova, L. Qiao, E. Richter, S. Rigamonti, R. R. Pela, M. Schebek, K. Sinha, D. T. Speckhard, J. Stutz, S. Tillack, D. Tumakov, J. Užulis, M. Voiculescu, C. Vona, M. Yang, C. Draxl

Advanced Science 13 (47), e76167 (2026)

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Journal Article

Response Regimes in On-Chip THz Spectroscopy

G. Kipp, M. Michael, A. Potts, D. Herrmann, T. Matsuyama, G. Meier, M. Day, H. Bretscher, J. W. McIver

ACS Nano 13 (16), 4530–4538 (2026)

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Journal Article

Bridging scales in polaritonic chemistry: ab initio frameworks with realistic spatially structured cavities [Invited]

C. Bustamante, F. Bonafé, M. K. Svendsen, A. Rubio

Optical Materials Express 16 (7), 2230–2259 (2026)

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Journal Article

Nano–electron volt Fourier-limited transition of a single surface-adsorbed molecule

M. Mirzaei, A. Shkarin, B. Gurlek, J. Zirkelbach, A. J. Shin, I. Deperasińska, B. Kozankiewicz, T. Utikal, S. Götzinger, V. Sandoghdar

Science 392 (6805), 1384–1389 (2026)

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Journal Article

Angular anisotropy landscape of vortex ensembles in polarized small-angle neutron scattering

M. P. Adams, E. M. Jefremovas, A. Michels

Physical Review Research 8 (2), 023328 (2026)

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Journal Article

High-throughput in situ single particle X-ray imaging of dehydrating viral capsids

A. Mall, A. Munke, P. Mazumder, Z. Shen, J. Bielecki, J. E, A. Estillore, C. Kim, R. Letrun, J. Lübke, S. Rafie-Zinedine, A. Round, E. Round, M. Rütten, A. K. Samanta, A. Sarma, T. Sato, F. Schulz, C. Seuring, T. Wollweber, L. Worbs, P. Vagovic, R. Bean, A. P. Mancuso, N.-T. D. Loh, T. Beck, J. Küpper, F. R. N. C. Maia, H. N. Chapman, K. Ayyer

Light: Science & Applications 15 (1), 280 (2026)

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Journal Article

Roadmap on Advancements of the FHI-aims Software Package

J. W. Abbott, C. M. Acosta, A. Akkoush, A. Ambrosetti, V. Atalla, A. Bagrets, J. Behler, D. Berger, H. Bertschi, B. Bieniek, J. Björk, V. Blum, S. Bohloul, C. L. Box, N. Boyer, D. S. Brambila, G. A. Bramley, K. R. Bryenton, M. Camarasa-Gómez, C. Carbogno, F. Caruso, S. Chutia, M. Ceriotti, G. Csányi, W. Dawson, F. A. Delesma, F. Della Sala, B. Delley, R. A. DiStasio, M. Dragoumi, S. Driessen, M. Dvorak, S. Erker, F. Evers, E. Fabiano, M. R. Farrow, F. Fiebig, J. Filser, L. Foppa, L. Gallandi, A. Garcia, R. Gehrke, S. Ghan, L. M. Ghiringhelli, M. Glass, S. Goedecker, D. Golze, M. Gramzow, J. A. Green, A. Grisafi, A. Grüneis, J. Günzl, S. Gutzeit, S. J. Hall, F. Hanke, V. Havu, X. He, J. Hekele, O. Hellman, U. Herath, J. Hermann, D. Hernangómez-Pérez, O. T. Hofmann, J. Hoja, S. Hollweger, L. Hörmann, B. Hourahine, W. B. How, W. P. Huhn, M. Hülsberg, T. Jacob, S. P. Jand, H. Jiang, E. R. Johnson, W. Jürgens, J. M. Kahk, Y. Kanai, K. Kang, P. Karpov, E. Keller, R. Kempt, D. Khan, M. Kick, B. P. Klein, J. Kloppenburg, A. Knoll, F. Knoop, F. Knuth, S. S. Köcher, J. Kockläuner, S. Kokott, T. Körzdörfer, H.-H. Kowalski, P. Kratzer, P. Kůs, R. Laasner, B. Lang, B. Lange, M. F. Langer, A. H. Larsen, H. Lederer, S. Lehtola, M.-O. Lenz-Himmer, M. Leucke, S. Levchenko, A. Lewis, O. A. von Lilienfeld, K. Lion, W. Lipsunen, J. Lischner, Y. Litman, C. Liu, Q.-L. Liu, S. Liu, A. J. Logsdail, M. Lorke, Z. Lou, I. Mandzhieva, A. Marek, J. T. Margraf, R. J. Maurer, T. Melson, F. Merz, J. Meyer, G. S. Michelitsch, T. Mizoguchi, E. Moerman, D. Morgan, J. Morgenstein, J. Moussa, A. S. Nair, L. Nemec, H. Oberhofer, A. Otero-de-la-Roza, R. L. Panadés-Barrueta, T. Patlolla, M. Pogodaeva, A. Pöppl, A. J. A. Price, T. A. R. Purcell, J. Quan, N. Raimbault, M. Rampp, K. Rasim, R. Redmer, X. Ren, K. Reuter, N. A. Richter, S. Ringe, P. Rinke, S. P. Rittmeyer, H. I. Rivera-Arrieta, M. Ropo, M. Rossi, V. Ruiz, N. Rybin, A. Sanfilippo, M. Scheffler, C. Scheurer, C. Schober, F. Schubert, T. Shen, C. Shepard, H. Shang, K. Shibata, A. Sobolev, R. Song, A. Soon, D. T. Speckhard, P. V. Stishenko, E. Stocco, M. N. Tahir, I. Takahara, J. Tang, Z. Tang, T. Theis, F. Theiss, A. Tkatchenko, M. Todorović, G. Trenins, O. T. Unke, Á. Vázquez-Mayagoitia, O. van Vuren, D. Waldschmidt, H. Wang, Y. Wang, J. Wieferink, J. Wilhelm, S. Woodley, J. Xu, Y. Xu, Y. Yao, Y. Yao, M. Yoon, V. W.-z. Yu, Z. Yuan, M. Zacharias, I. Y. Zhang, M.-Y. Zhang, W. Zhang, X. Zhang, R. Zhao, S. Zhao, R. Zhou, Y. Zhou, T. Zhu

Electronic Structure (2026)

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Journal Article

Ultrafast Carrier Dynamics in Methylammonium Lead Iodide (MAPbI3) Perovskite Thin Films With Coexisting Orthorhombic and Tetragonal Phases

Y. Li, Z. Yao, C. Jiao, Z. Wang, F. Schlawin, D. Baranov

Small Structures 7 (6), e70515 (2026)

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Journal Article

Tunable Spin–Valley Locked Quantum Anomalous Hall Ferrovalley State in Néel Antiferromagnet Heterostructures

M. U. Rehman, L. D. Xian

Nano Letters 26 (23), 7571–7578 (2026)

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Journal Article

Screened potential in one-dimensional systems: Application to electron-hole interaction and Wannier-Mott-like excitons in atomic wires

F. Bechstedt, S. Grillo, O. Pulci, P. Gori

Physical Review B 113 (24), 245432 (2026)

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Journal Article

Cavity control of multiferroic order in single-layer NiI₂

C. Fan, E. Viñas Boström, X. Cheng, L. Grunwald, Z. Zhang, D. M. Kennes, D. N. Basov, A. Rubio

Npj Computational Materials 12 (1), 205 (2026)

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Journal Article

Circular dichroism in the photoelectron angular distribution of achiral molecules

C. S. Kern, X. Yang, G. Zamborlini, S. Mearini, M. Jugovac, V. Feyer, U. de Giovannini, A. Rubio, S. Soubatch, M. G. Ramsey, F. S. Tautz, P. Puschnig

Physical Review Research 8 (2), 023275 (2026)

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Journal Article

Saturated and Anisotropic Magnetostriction in an Altermagnet

Z. Duan, Q. Xu, P. Qin, L. Liu, G. Zhao, Y. He, X. Tan, S. Jiang, J. Li, X. Wang, Q. Zhang, W. Duan, Y. Xu, Z. Meng, P. Tang, C. Jiang, Z. Liu

Journal of the American Chemical Society 148 (22), 22709–22717 (2026)

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Journal Article

Direct Thermal Resistance Measurement of a Single Defect in Graphite

T. Bai, T. Zhang, S. Pei, R. Mao, F. Liu, J. Li, R. Shi, J. Du, L. D. Xian, W. Ren, Z. Liu, P. Gao

ACS Nano 20 (22), 16135–16143 (2026)

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Journal Article

Occupation Dynamics of Floquet–Volkov States and Spectral Sum Rule

X. Cai, C. Bao, B. Fan, H. Zhong, F. Wang, S. Zhou, T. Lin, H. Zhang, P. Yu, P. Tang, W. Duan, S. Zhou

Nano Letters 26 (21), 7034–7042 (2026)

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Journal Article

Quantum control of Hubbard excitons

D. R. Baykusheva, D. P. Carmichael, C. S. Weber, I.-T. Lu, F. Glerean, T. Meng, P. B. M. De Oliveira, C. C. Homes, I. A. Zaliznyak, G. D. Gu, M. P. M. Dean, A. Rubio, D. M. Kennes, M. Claassen, M. Mitrano

Nature Materials 25 (6), 937–943 (2026)

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