Electronic Responses in Solid Oxygen with Coexisting Structural and Magnetic Orders
Abstract
Solid oxygen provides a unique platform for studying the interplay between structural and magnetic degrees of freedom, as each O2 molecule possesses an S=1 spin and weak intermolecular van der Waals interactions allow substantial structural flexibility. In addition, because of its small intermolecular hopping integrals, this system is known to be a strongly correlated electron system with a multiorbital nature. In this study, we examine electronic states and magnetic and dielectric responses using a multiorbital Hubbard model with Peierls-type electron-lattice coupling. This model provides a minimal description of the interplay between structural and magnetic degrees of freedom in solid oxygen. We apply the Hartree-Fock approximation to obtain the ground-state phase diagram. Antiferromagnetic order appears when the onsite Coulomb interaction is strong, whereas three nonmagnetic bond-ordered states emerge when it is weak. At intermediate interaction strengths, antiferromagnetic order coexists with each of the three bond orders. These three coexistence phases all break time-reversal symmetry; one preserves spatial inversion symmetry, whereas the other two also break it. The two inversion-breaking phases exhibit linear magnetoelectric responses, whereas the inversion-symmetric phase exhibits altermagnetic spin splitting and a piezomagnetic response. These responses may provide experimental signatures of coexisting magnetic and structural orders in high-pressure solid oxygen suggested by recent experiments.
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BibTeX
@misc{sato2026electronic,
title = {{Electronic Responses in Solid Oxygen with Coexisting Structural and Magnetic Orders}},
author = {Naomichi Sato and Makoto Naka and Joji Nasu},
howpublished = {arXiv},
year = {2026},
month = oct,
doi = {10.48550/arxiv.2610.34794},
eprint = {2610.34794},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2610.34794},
}
RIS
TY - UNPB
TI - Electronic Responses in Solid Oxygen with Coexisting Structural and Magnetic Orders
AU - Naomichi Sato
AU - Makoto Naka
AU - Joji Nasu
PY - 2026
DA - 2026/10/26
PB - arXiv
DO - 10.48550/arxiv.2610.34794
UR - https://arxiv.org/abs/2610.34794
AB - Solid oxygen provides a unique platform for studying the interplay between structural and magnetic degrees of freedom, as each O_2 molecule possesses an S=1 spin and weak intermolecular van der Waals interactions allow substantial structural flexibility. In addition, because of its small intermolecular hopping integrals, this system is known to be a strongly correlated electron system with a multiorbital nature. In this study, we examine electronic states and magnetic and dielectric responses using a multiorbital Hubbard model with Peierls-type electron-lattice coupling. This model provides a minimal description of the interplay between structural and magnetic degrees of freedom in solid oxygen. We apply the Hartree-Fock approximation to obtain the ground-state phase diagram. Antiferromagnetic order appears when the onsite Coulomb interaction is strong, whereas three nonmagnetic bond-ordered states emerge when it is weak. At intermediate interaction strengths, antiferromagnetic order coexists with each of the three bond orders. These three coexistence phases all break time-reversal symmetry; one preserves spatial inversion symmetry, whereas the other two also break it. The two inversion-breaking phases exhibit linear magnetoelectric responses, whereas the inversion-symmetric phase exhibits altermagnetic spin splitting and a piezomagnetic response. These responses may provide experimental signatures of coexisting magnetic and structural orders in high-pressure solid oxygen suggested by recent experiments.
ER -