Quantum Buckling in Metal–Organic Framework Materials
POSTER
Abstract
Metal–organic frameworks are porous materials composed of metal ions or clusters coordinated by organic molecules. As a response to applied uniaxial pressure, molecules with a straight shape in the framework start to buckle. At sufficiently low temperatures, this buckling has a quantum nature described by a superposition of degenerate buckling states. Buckling states of adjacent molecules couple in a transverse field Ising type behavior. Based on the example of the metal organic framework topology MOF-5, we derived the phase diagram under applied strain, showing a normal phase, a parabuckling phase, and a ferrobuckling phase. At zero temperature, quantum phase transitions between the three phases can be induced by strain. This novel type of order opens a new path toward strain induced quantum phases.
*We acknowledge support from Chalmers University of Technology. Computational resources were provided by the Swedish National Infrastructure for Computing (SNIC) via the High Performance Computing Centre North (HPC2N) and the Uppsala Multidisciplinary Centre for Advanced Computational Science (UPPMAX).
Publication: R. M. Geilhufe, Quantum Buckling in Metal-Organic Framework Materials, Nano Letters 2021, 21, 24, 10341–10345
Presenters
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R. Matthias Geilhufe
- Chalmers University of Technology