Spin-orbital Jahn-Teller bipolarons

Lorenzo Celiberti, Dario Fiore Mosca, Giuseppe Allodi, Leonid V. Pourovskii, Anna Tassetti, Paola Caterina Forino, Rong Cong, Erick Garcia, Phuong M. Tran, Roberto De Renzi, Patrick M. Woodward, Vesna F. Mitrović, Samuele Sanna and Cesare Franchini ()
Additional contact information
Lorenzo Celiberti: University of Vienna
Dario Fiore Mosca: University of Vienna
Giuseppe Allodi: University of Parma
Leonid V. Pourovskii: École polytechnique, Institut Polytechnique de Paris
Anna Tassetti: Università di Bologna
Paola Caterina Forino: Università di Bologna
Rong Cong: Brown University
Erick Garcia: Brown University
Phuong M. Tran: The Ohio State University
Roberto De Renzi: University of Parma
Patrick M. Woodward: The Ohio State University
Vesna F. Mitrović: Brown University
Samuele Sanna: Università di Bologna
Cesare Franchini: University of Vienna

Nature Communications, 2024, vol. 15, issue 1, 1-9

Abstract: Abstract Polarons and spin-orbit (SO) coupling are distinct quantum effects that play a critical role in charge transport and spin-orbitronics. Polarons originate from strong electron-phonon interaction and are ubiquitous in polarizable materials featuring electron localization, in particular 3d transition metal oxides (TMOs). On the other hand, the relativistic coupling between the spin and orbital angular momentum is notable in lattices with heavy atoms and develops in 5d TMOs, where electrons are spatially delocalized. Here we combine ab initio calculations and magnetic measurements to show that these two seemingly mutually exclusive interactions are entangled in the electron-doped SO-coupled Mott insulator Ba2Na1−xCaxOsO6 (0

Date: 2024
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DOI: 10.1038/s41467-024-46621-0

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