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Orbital-Induced Peierls Transitions: How Orbitals Orchestrate Lattice Instability

Published 16 Sep 2026 in cond-mat.str-el and cond-mat.mtrl-sci | (2609.18614v1)

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 pp and dd 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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