Simulations show the Jahn-Teller transition in LaMnO3 at ~750 K is order-disorder with the Q2 distortion as order parameter; local distortions persist above the transition and anharmonic effects are prominent.
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Machine Learning the order-disorder Jahn-Teller transition in LaMnO$_3$
Simulations show the Jahn-Teller transition in LaMnO3 at ~750 K is order-disorder with the Q2 distortion as order parameter; local distortions persist above the transition and anharmonic effects are prominent.