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PreprintarXiv licencearXiv

Ground-State Properties of a Lattice-Coupled Strongly Correlated Model for Solid Oxygen under Pressure

  • Naomichi Sato
  • Makoto Naka
  • Joji Nasu
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Abstract

Solid oxygen is an S=1 molecular magnet with strong coupling between spin and lattice degrees of freedom. Recent studies suggest that magnetic moments coexist with tetramer distortions under pressure. We derive an effective spin Hamiltonian from a two-orbital Peierls--Hubbard model with spin-orbit coupling. The resulting model contains competing easy-plane single-ion and easy-axis exchange anisotropies. We analyze this model on a square lattice using quantum Monte Carlo simulations and evaluate the magnetic contribution to the lattice stiffness for several lattice distortion patterns including the tetramer pattern. We find that the tetramer pattern is the most favorable among the considered distortion patterns throughout the parameter range studied. Moreover, competition between the two anisotropies enhances the tendency toward lattice distortion and strengthens the preference for tetramerization over the other patterns.

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Cite

BibTeXRIS
BibTeX
@misc{sato2026groundstate,
  title = {{Ground-State Properties of a Lattice-Coupled Strongly Correlated Model for Solid Oxygen under Pressure}},
  author = {Naomichi Sato and Makoto Naka and Joji Nasu},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.36697},
  eprint = {2610.36697},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.36697},
}
RIS
TY  - UNPB
TI  - Ground-State Properties of a Lattice-Coupled Strongly Correlated Model for Solid Oxygen under Pressure
AU  - Naomichi Sato
AU  - Makoto Naka
AU  - Joji Nasu
PY  - 2026
DA  - 2026/10/27
PB  - arXiv
DO  - 10.48550/arxiv.2610.36697
UR  - https://arxiv.org/abs/2610.36697
AB  - Solid oxygen is an S=1 molecular magnet with strong coupling between spin and lattice degrees of freedom. Recent studies suggest that magnetic moments coexist with tetramer distortions under pressure. We derive an effective spin Hamiltonian from a two-orbital Peierls--Hubbard model with spin-orbit coupling. The resulting model contains competing easy-plane single-ion and easy-axis exchange anisotropies. We analyze this model on a square lattice using quantum Monte Carlo simulations and evaluate the magnetic contribution to the lattice stiffness for several lattice distortion patterns including the tetramer pattern. We find that the tetramer pattern is the most favorable among the considered distortion patterns throughout the parameter range studied. Moreover, competition between the two anisotropies enhances the tendency toward lattice distortion and strengthens the preference for tetramerization over the other patterns.
ER  -