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Theoretical investigation of lattice thermal conductivity and electrophononic effects in SrTiO3

AuthorsTorres, Pol; Seijas Bellido, Juan Antonio; Escorihuela Sayalero, Carlos CSIC ORCID; Íñiguez, Jorge CSIC ORCID; Rurali, Riccardo CSIC ORCID
Issue DateApr-2019
AbstractWe present a theoretical study of the lattice thermal conductivity of SrTiO 3 in its antiferrodistortive ferroelastic phase and of its dependence on an applied external electric field, via electrophononic couplings. The calculations are done by using second-principles density-functional theory and the full solution of the Boltzmann transport equation. Our results allow, on one hand, to identify and explain deviations from the usual temperature dependence of the thermal conductivity, revealing Poiseuille flow and a rare umklapp transport regime, in agreement with recent experimental results [Martelli et al., Phys. Rev. Lett. 120, 125901 (2018)]; on the other hand, they show that an external electric field, by reducing the symmetry of the lattice, activates different phonon-phonon scattering processes and thus yields a reduction of the thermal conductivity, supporting the generality of a heat control strategy previously reported by some of us [Seijas-Bellido et al., Phys. Rev. B 97, 184306 (2018)]
Publisher version (URL)http://dx.doi.org/10.1103/PhysRevMaterials.3.044404
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