Finite temperature dielectric properties of KTaO${}_3$ from first principles and machine learning: Phonon spectra, Barrett law, strain engineering and electrostriction

Quintin N. Meier, Natalio Mingo, Ambroise van Roekeghem

Despite important breakthroughs in the last decade, the calculation of temperature dependent properties of solids still remains a challenging task, especially in the vicinity of st…