Q-MAC meetings in 2020/2021:

The Final International Symposium has been postponed until further notice.

Q-MAC regular meeting 2020 has been cancelled. 

Read more

Q-MAC Extension on the grounds of excellence

Q-MAC Project has been successfully extended for 1 year

Read more

Publication Detail / Abstract

O. E. Peil, A. Hampel, C. Ederer, A. Georges

Mechanism and control parameters of the coupled structural and metal-insulator transition in nickelates

published on Physical Review B on June 12, 2019
> Full text via publisher
Rare-earth nickelates exhibit a remarkable metal-insulator transition accompanied by a symmetry-lowering structural distortion. Using model considerations and first-principles calculations, we present a theory of this phase transition which reveals the key role of the coupling between electronic and lattice instabilities. We show that the transition is driven by the proximity to an instability towards electronic disproportionation which couples to a specific structural distortion mode, cooperatively driving the system into the insulating state. This allows us to identify two key control parameters of the transition: the susceptibility to electronic disproportionation and the stiffness of the lattice mode. We show that our findings can be rationalized in terms of a Landau theory involving two coupled order parameters, with general implications for transition-metal oxides.
< Back