Comparative study of the phase stability in SrTaO2N

Recently, ferroelectric behavior was observed in compressed SrTaO2N thin films epitaxially grown on SrTiO3 substrates. Piezoresponse force microscopy measurements revealed small domains (101–102 nm) that exhibited classical ferroelectricity, a behavior not previously observed in perovskite oxynitrid...

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Autores principales: Alonso, Roberto Emilio, Taylor, Marcela Andrea, Gil Rebaza, Arles Víctor, Cappelletti, Marcelo Angel, Fernández, Victoria Inés
Formato: Articulo
Lenguaje:Inglés
Publicado: 2018
Materias:
Física
Ab-initio
Dielectrics
Ferroelectricity
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/96459
https://ri.conicet.gov.ar/11336/56808
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-96459
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Física
Ab-initio
Dielectrics
Ferroelectricity
spellingShingle Física
Ab-initio
Dielectrics
Ferroelectricity
Alonso, Roberto Emilio
Taylor, Marcela Andrea
Gil Rebaza, Arles Víctor
Cappelletti, Marcelo Angel
Fernández, Victoria Inés
Comparative study of the phase stability in SrTaO2N
topic_facet Física
Ab-initio
Dielectrics
Ferroelectricity
description Recently, ferroelectric behavior was observed in compressed SrTaO2N thin films epitaxially grown on SrTiO3 substrates. Piezoresponse force microscopy measurements revealed small domains (101–102 nm) that exhibited classical ferroelectricity, a behavior not previously observed in perovskite oxynitrides. The surrounding matrix region exhibited relaxor ferroelectric-like behavior. Bulk SrTaO2N samples do not show ferroelectricity, thus suggesting that the origin of it may be related with the strain induced by the substrate. Ab-initio calculations reported that the small domains and the surrounding matrix had trans-type and a cis-type anion arrangements, respectively, but do not describe the experimentally observed equilibrium phase, nor the strain dependent polarization. In this work, we present high accurate all-electron first-principles calculations on the different possible local structures that can explain the ferroelectric-like properties of the strained material. The determined local structure and oxygen/nitrogen ordering has been related with polarization and epitaxial strain. The potential energies and polarization as functions of the in-plane lattice constant are reported.
format Articulo
Articulo
author Alonso, Roberto Emilio
Taylor, Marcela Andrea
Gil Rebaza, Arles Víctor
Cappelletti, Marcelo Angel
Fernández, Victoria Inés
author_facet Alonso, Roberto Emilio
Taylor, Marcela Andrea
Gil Rebaza, Arles Víctor
Cappelletti, Marcelo Angel
Fernández, Victoria Inés
author_sort Alonso, Roberto Emilio
title Comparative study of the phase stability in SrTaO2N
title_short Comparative study of the phase stability in SrTaO2N
title_full Comparative study of the phase stability in SrTaO2N
title_fullStr Comparative study of the phase stability in SrTaO2N
title_full_unstemmed Comparative study of the phase stability in SrTaO2N
title_sort comparative study of the phase stability in srtao2n
publishDate 2018
url http://sedici.unlp.edu.ar/handle/10915/96459
https://ri.conicet.gov.ar/11336/56808
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