Three Jahn-Teller States of Matter in Spin-Crossover System Mn(taa)

Jie Xiang Yu, Dian Teng Chen, Jie Gu, Jia Chen, Jun Jiang, Long Zhang, Yue Yu, Xiao Guang Zhang, Vivien S. Zapf, Hai Ping Cheng

Research output: Contribution to journalArticlepeer-review

18 Scopus citations

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.
Original languageEnglish
JournalPhysical Review Letters
Volume124
Issue number22
DOIs
StatePublished - Jun 5 2020

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