In the commended study, she focused on the second-order susceptibility χ(2) of lithium niobate. She found that defect-trapped polarons and bipolarons strongly enhance χ(2) of the material, what is a consequence of the formation of polaronic states inside the gap. Considering that the polaron density may be modified by dopants or by optical excitation, polarons provide a way to control spatially and transiently χ(2) in lithium niobate.
The Psi-k 2022 Conference – the largest event worldwide in electronic-structure simulations – was held on August 22-25, 2022, in Lausanne, Switzerland. Her commended poster was entitled “Strong χ(2) Enhancement Due to Polaron Formation in Lithium Niobate”.
More details on this work can be found in the publication: https://doi.org/10.1103/PhysRevB.104.174110