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Peer-reviewedCC BY 4.0Physical Review Letters

Polaron-Driven Switching of Octupolar Order in Doped 5d² Double Perovskite

  • Dario Fiore Mosca
  • Lorenzo Celiberti
  • Leonid Pourovskii
  • Cesare Franchini
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Abstract

We investigate how doping-induced small polarons impact the low-temperature multipolar orders of the 5d² double perovskite Ba₂CaOsO₆. By computing intersite exchange interactions between 5d¹ localized hole polarons and 5d² magnetic ions from first principles, we demonstrate the reversal of the dominant octupolar exchange from ferromagnetic to antiferromagnetic. Solving the corresponding effective Hamiltonian, we find this reversal to account for the progressive suppression of the ferro-octupolar order and the reduction of the ordering temperature upon Na doping. These findings clarify previously ambiguous experimental observations and demonstrate that charge doping in the form of small polarons offers a viable route to tuning intersite exchange interactions in spin-orbit-entangled materials, enabling the emergence of novel quantum orders.

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Cite

BibTeXRIS
BibTeX
@article{mosca2026polarondriven,
  title = {{Polaron-Driven Switching of Octupolar Order in Doped 5d² Double Perovskite}},
  author = {Dario Fiore Mosca and Lorenzo Celiberti and Leonid Pourovskii and Cesare Franchini},
  journal = {Physical Review Letters},
  year = {2026},
  month = oct,
  doi = {10.1103/r8v5-h8bq},
  eprint = {2603.18155},
  archivePrefix = {arXiv},
  url = {https://hal.science/hal-05784524v1},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - Polaron-Driven Switching of Octupolar Order in Doped 5d² Double Perovskite
AU  - Dario Fiore Mosca
AU  - Lorenzo Celiberti
AU  - Leonid Pourovskii
AU  - Cesare Franchini
PY  - 2026
DA  - 2026/10/07
JO  - Physical Review Letters
DO  - 10.1103/r8v5-h8bq
UR  - https://hal.science/hal-05784524v1
AB  - We investigate how doping-induced small polarons impact the low-temperature multipolar orders of the 5d² double perovskite Ba₂CaOsO₆. By computing intersite exchange interactions between 5d¹ localized hole polarons and 5d² magnetic ions from first principles, we demonstrate the reversal of the dominant octupolar exchange from ferromagnetic to antiferromagnetic. Solving the corresponding effective Hamiltonian, we find this reversal to account for the progressive suppression of the ferro-octupolar order and the reduction of the ordering temperature upon Na doping. These findings clarify previously ambiguous experimental observations and demonstrate that charge doping in the form of small polarons offers a viable route to tuning intersite exchange interactions in spin-orbit-entangled materials, enabling the emergence of novel quantum orders.
SN  - 0031-9007
SN  - 1079-7114
ER  -