English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Using finite-temperature phonon calculations and machine-learning methods, wecalculate the mechanical stability of about 400 semiconducting oxides andfluorides with cubic perovskite structures at 0 K, 300 K and 1000 K. We find 92mechanically stable compounds at high temperatures -- including 36 notmentioned in the literature so far -- for which we calculate the thermalconductivity. We demonstrate that the thermal conductivity is generally smallerin fluorides than in oxides, largely due to a lower ionic charge, and describesimple structural descriptors that are correlated with its magnitude.Furthermore, we show that the thermal conductivities of most cubic perovskitesdecrease more slowly than the usual $T^{-1}$ behavior. Within this set, we alsoscreen for materials exhibiting negative thermal expansion. Finally, wedescribe a strategy to accelerate the discovery of mechanically stablecompounds at high temperatures.

High throughput thermal conductivity of high temperature solid phases: The case of oxide and fluoride perovskites