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

Andrés Camilo Garcia-Castro (), Jorge Hernan Quintero Orozco and Carlos José Paez Gonzalez
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Andrés Camilo Garcia-Castro: School of Physics, cimbios Research Group, Universidad Industrial de Santander
Jorge Hernan Quintero Orozco: School of Physics, cimbios Research Group, Universidad Industrial de Santander
Carlos José Paez Gonzalez: School of Physics, ficomaco Research Group, Universidad Industrial de Santander

The European Physical Journal B: Condensed Matter and Complex Systems, 2019, vol. 92, issue 9, 1-5

Abstract: Abstract 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. Graphical abstract

Keywords: Solid; State; and; Materials (search for similar items in EconPapers)
Date: 2019
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DOI: 10.1140/epjb/e2019-100175-1

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