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Updated: Dec 17, 2025

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Published on: December 3, 2013
Three Jahn-Teller States of Matter in Spin-Crossover System Mn(taa)
Jie-Xiang Yu1, Dian-Teng Chen1, Jie Gu1
1Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida, Gainesville, Florida 32611, USA.
Abstract:
Three high-spin phases recently discovered in the spin-crossover system Mn(taa) are identified through analysis by a combination of first-principles calculations and Monte Carlo simulation as a low-temperature Jahn-Teller ordered (solid) phase, an intermediate-temperature dynamically correlated (liquid) phase, and an uncorrelated (gas) phase. In particular, the Jahn-Teller liquid phase arises from competition between mixing with low-spin impurities, which drive the disorder, and intermolecular strain interactions. The latter are a key factor in both the spin-crossover phase transition and the magnetoelectric coupling. Jahn-Teller liquids may exist in other spin-crossover materials and materials that have multiple equivalent Jahn-Teller axes.
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