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Collective buckling in metal-organic framework materials

Nico Hahn1,*, Lars Öhrström2, and R. Matthias Geilhufe1

  • *Contact author: nico.hahn@chalmers.se
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Phys. Rev. Research 8, 013325 – Published 25 March, 2026

DOI: https://doi.org/10.1103/bpjt-6qr2

Abstract

We develop a framework to describe collective buckling in metal-organic frameworks (MOFs). Starting from the microscopic structure of a single organic linker, we define a buckling coordinate governed by an effective double-well potential. Coupling between linkers is introduced within a dipole-dipole approximation, resulting in an effective lattice Hamiltonian. We analyze the transition between ordered and disordered phases within a mean-field approximation and estimate the critical temperature. As an illustrative example for our theory, we discuss the collective buckling instability for the prototypical cubic framework MOF-5 under different values of uniaxial strain. Our approach provides a quantitative description of collective buckling in framework materials.

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Phys. Rev. Research 8, 013325– Published 25 March, 2026
  • Received 20 November 2025
  • Accepted 9 March 2026
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI. Funded by Bibsam.

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