Prediction of high-Tc superconductivity in ternary lanthanum borohydrides · Files on Ouro
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Prediction of high-Tc superconductivity in ternary lanthanum borohydrides
The study of superconductivity in compressed hydrides is of great interest due to measurements of high critical temperatures (Tc) in the vicinity of room temperature, beginning with the observations of LaH10 at 170-190 GPa. However, the pressures required for synthesis of these high Tc superconducting hydrides currently remain extremely high. Here we show the investigation of crystal structures and superconductivity in the La-B-H system under pressure with particle-swarm intelligence structure searches methods in combination with first-principles calculations.
https://arxiv.org/abs/2107.02553
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Computational methods for predicting Tc
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This post will focus on the methods available to predict/derive of a material. We want to be able to build a pipeline where we can go beyond the available (and experimental) Tc data and train a model