2019/11/13 by Aida Sheibani, Sheibani, Aida, Charles Paillard +9
Materials Science · #2D Materials and Applications #Advanced Thermoelectric Materials and Devices #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Phase-change materials and chalcogenides
paper · pdf · doi:10.48550/arxiv.1911.05301
openalex publication_date 2019/11/13 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
First principle calculations are performed to investigate the effect of polar order strength on the thermoelectric (TE) properties of GeTe alloy in its rhombohedral structure. The variation in the polarization state using various ferroelectric distortions λ (λ=0,0.5,1.0,1.25,1.5) allows to change the thermoelectric properties to a large extent. The polar structure with a high polarization mode (λ=1.5) tends to show a higher TE efficiency than the cubic structure at high temperatures. Thus, polarization engineering may play a key role in designing efficient thermoelectric devices. In particular, high TE performances could be achieved by growing epitaxial GeTe films that bi-axially compress the directions perpendicular to the polar axis, which may help to tune the Curie temperature.