| Full text | |
| Author(s): |
Mastelaro, V. R.
[1]
;
Favarim, H. R.
[2]
;
Mesquita, A.
[3]
;
Michalowicz, A.
[4, 5]
;
Moscovici, J.
[4, 5]
;
Eiras, J. A.
[6]
Total Authors: 6
|
| Affiliation: | [1] Univ Sao Paulo, Inst Fis Sao Carlos, Sao Carlos, SP - Brazil
[2] Univ Fed Ouro Preto, DEFIS, Ouro Preto, MG - Brazil
[3] Univ Estadual Paulista, Dept Fis, Inst Geociencias & Ciencias Exatas, Rio Claro, SP - Brazil
[4] CNRS, Inst Chim & Mat Paris Est, F-94320 Thiais - France
[5] Univ Paris Est Creteil, F-94320 Thiais - France
[6] Univ Fed Sao Carlos, Dept Fis, BR-13560 Sao Carlos, SP - Brazil
Total Affiliations: 6
|
| Document type: | Journal article |
| Source: | ACTA MATERIALIA; v. 84, p. 164-171, FEB 1 2015. |
| Web of Science Citations: | 22 |
| Abstract | |
This paper reports on a multi-edge X-ray absorption analysis to elucidate how the substitution of Ti4+ by Zr4+ ions acts on the local order structure and on the O 2p hybridization states of Ba0.9Ca0.1Ti1-xZrxO3 (BCZT) lead-free ceramic compounds, inducing a ferroelectric evolution from a normal to a relaxor character. Ti, Ba, Zr and 0 X-ray absorption spectra were measured to probe the local and electronic structure of BCZT samples that exhibit a normal (x < 0.18) or relaxor (x >= 0.18) ferroelectric character. X-ray absorption near edge structure results show that the local symmetry and distortion of TiO6, ZrO6 and BaO12 units are not significantly affected by the Ti/Zr ratio, the ferroelectric character or the long-range order symmetry. The assignment of the ab initio density of states associated with the O K-edge enabled a correlation between the decrease in the hybridization between O 2p and Ti 3d states and the ferroelectric character evolution of the BCZT samples. The hybridization states in the ferroelectric relaxor samples exhibit a more symmetric spatial configuration, as occurs with long-range symmetry. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. (AU) | |
| FAPESP's process: | 08/04025-0 - Nanostructured multifunctional multiferroic materials: synthesis, properties, phenomenology and applications |
| Grantee: | José Antonio Eiras |
| Support Opportunities: | Research Projects - Thematic Grants |