Title
Ab-initio study on the electronic properties of perovskite structure-based ferroelectrics
Date Issued
26 October 2018
Access level
metadata only access
Resource Type
journal article
Author(s)
Universidade Federal de Uberlândia
Publisher(s)
Taylor and Francis Inc.
Abstract
During the last decades, increasing progresses have been made on the theoretical study of ferroelectric materials since the discovery of the barium titanate (BaTiO3). The ab-initio methods are based on quantum mechanics, which takes into account only fundamental physical constants. This work aims the study of the electronics properties of perovskite oxides based on BaTiO3, considering the inclusion of rare-earth ions as impurities into the structure, by using the density functional theory (DFT). The presence of structural defects, such as vacancies, as well as their influence on the physical properties, has been investigated.
Start page
65
End page
71
Volume
535
Issue
1
Language
English
OCDE Knowledge area
Ingeniería eléctrica, Ingeniería electrónica
Subjects
Scopus EID
2-s2.0-85062776958
Source
Ferroelectrics
ISSN of the container
00150193
Sponsor(s)
The authors would like to thank FAPEMIG, CAPES/OEA and CNPq Brazilian agencies for financial support. M.Sc. Aslla-Quispe also thanks to CENAPAD-SP (National Center for High Performance Processing in São Paulo), Project UNICAMP/FINEP – MCT.
Sources of information:
Directorio de Producción Científica
Scopus