Hybrid-improper ferroelectric behavior in Ba3SiO/Ba3GeO oxide antiperovskite superlattices.

Autor: Garcia-Castro, Andrés Camilo, Quintero Orozco, Jorge Hernan, Paez Gonzalez, Carlos José
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Zdroj: European Physical Journal B: Condensed Matter; Sep2019, Vol. 92 Issue 9, pN.PAG-N.PAG, 1p
Abstrakt: Here, we present a theoretical study of the hybrid-improper ferroelectric (HIF) behavior at the [001] (Ba3SiO)1/(Ba3GeO)1 superlattices. Then, by means of first-principles calculations, we have investigated the structural and vibrational modes that allows the existence of the trilinear coupling phenomenon in this antiperovskite oxide heterostructure. The latter coupling, leading to a ferroelectric character in this system. Finally, we show the xy biaxial strain influence into the structure and the ferroelectricity, achieving an enhancement of the spontaneous polarization through this control parameter. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index