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

Here, we present a theoretical study of the hybrid-improper ferroelectric (HIF) behavior at the [001] (Ba 3 SiO) 1 /(Ba 3 GeO) 1 superlattices. Then, by means of first-principles calculations, we have investigated the structural and vibrational modes that allows the existence of the trilinear coupli...

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Bibliographic Details
Published in:The European physical journal. B, Condensed matter physics Condensed matter physics, 2019-09, Vol.92 (9), p.1-5, Article 203
Main Authors: Garcia-Castro, Andrés Camilo, Quintero Orozco, Jorge Hernan, Paez Gonzalez, Carlos José
Format: Article
Language:English
Subjects:
Complex Systems
Condensed Matter Physics
Coupling
Ferroelectric materials
Ferroelectricity
First principles
Fluid- and Aerodynamics
Heterostructures
Physics
Physics and Astronomy
Regular Article
Solid State Physics
Superlattices
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Summary:Here, we present a theoretical study of the hybrid-improper ferroelectric (HIF) behavior at the [001] (Ba 3 SiO) 1 /(Ba 3 GeO) 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. Graphical abstract
ISSN:1434-6028
1434-6036
DOI:10.1140/epjb/e2019-100175-1