Improved modelling of the Pockels effect for defect-free, small thin-film optoelectronic devices

https://www.eurekalert.org/news-releases/1083015

"silicon has limited bandwidth, tetragonal barium titanate ferroelectric perovskite grown on top of silicon has much better optoelectronics properties, now optimized... Pockels effect, change in refractive index in presence of electric field based on Density-Functional Perturbation Theory, is difficult to measure/ has accuracy limits, overcome relying only on standard Density Functional Theory using finite differences... supercell stabilizing phonon modes and inducing some off-centering of the titanium atoms inside of it”

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