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PreprintCC BY 4.0arXiv

Orbital-Induced Peierls Transitions: How Orbitals Orchestrate Lattice Instability

Abstract

The Peierls transition is typically regarded as a phenomenon inherent to one-dimensional (1D) materials. However, orbital degrees of freedom can induce this instability even in higher dimensions. Two mechanisms are primarily responsible. First, the anisotropic shape of p and d orbitals can lead to effective "1D-zation" of the electronic spectrum. Second, orbital degrees of freedom can lift band degeneracy by shifting bands relative to each other via the local or band Jahn-Teller effect, thereby affecting the nesting of the Fermi surface. The orbital-induced Peierls effect is most commonly observed when ligand octahedra surrounding transition metals share edges, and less frequently in face-sharing geometries. In this review, we discuss the underlying physical mechanisms, the materials in which this phenomenon occurs, the characteristics of the high-temperature undistorted phase, and the role of local effects such as the formation of molecular orbitals.

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BibTeX
@misc{mizokawa2026orbitalinduced,
  title = {{Orbital-Induced Peierls Transitions: How Orbitals Orchestrate Lattice Instability}},
  author = {T. Mizokawa and S. V. Streltsov},
  howpublished = {arXiv},
  year = {2026},
  month = sep,
  doi = {10.48550/arxiv.2609.18614},
  eprint = {2609.18614},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2609.18614},
  note = {CC BY 4.0},
}
RIS
TY  - UNPB
TI  - Orbital-Induced Peierls Transitions: How Orbitals Orchestrate Lattice Instability
AU  - T. Mizokawa
AU  - S. V. Streltsov
PY  - 2026
DA  - 2026/09/16
PB  - arXiv
DO  - 10.48550/arxiv.2609.18614
UR  - https://arxiv.org/abs/2609.18614
AB  - The Peierls transition is typically regarded as a phenomenon inherent to one-dimensional (1D) materials. However, orbital degrees of freedom can induce this instability even in higher dimensions. Two mechanisms are primarily responsible. First, the anisotropic shape of p and d orbitals can lead to effective "1D-zation" of the electronic spectrum. Second, orbital degrees of freedom can lift band degeneracy by shifting bands relative to each other via the local or band Jahn-Teller effect, thereby affecting the nesting of the Fermi surface. The orbital-induced Peierls effect is most commonly observed when ligand octahedra surrounding transition metals share edges, and less frequently in face-sharing geometries. In this review, we discuss the underlying physical mechanisms, the materials in which this phenomenon occurs, the characteristics of the high-temperature undistorted phase, and the role of local effects such as the formation of molecular orbitals.
ER  -