Investigation on the structural properties in Er-doped PbTiO3 compounds: A correlation between experimental and theoretical results
Contribuinte(s) |
Universidade Estadual Paulista (UNESP) |
---|---|
Data(s) |
20/05/2014
20/05/2014
25/08/2008
|
Resumo |
The aim of this work is to investigate the structural properties of the (Pb1-xErx)TiO3 (PET) powders, with x varying from 0.01 to 0.08, prepared by the polymeric precursor method. Combined X-ray diffraction, Raman spectroscopy and ab initio calculation reveal a diffuse phase-transition of a tetragonal to a cubic phase. The crystalline models built allowed to calculate electronic properties and to analyze the behavior of the doping element in the structure of the material, which are consistent with the experimental results that indicate the beginning of phase-transition from tetragonal to cubic. (C) 2007 Elsevier B.V. All rights reserved. |
Formato |
157-163 |
Identificador |
http://dx.doi.org/10.1016/j.jallcom.2007.07.107 Journal of Alloys and Compounds. Lausanne: Elsevier B.V. Sa, v. 462, n. 1-2, p. 157-163, 2008. 0925-8388 http://hdl.handle.net/11449/42198 10.1016/j.jallcom.2007.07.107 WOS:000258076300037 |
Idioma(s) |
eng |
Publicador |
Elsevier B.V. Sa |
Relação |
Journal of Alloys and Compounds |
Direitos |
closedAccess |
Palavras-Chave | #polymeric precursors #erbium #lead titanate #ab initio #DFT |
Tipo |
info:eu-repo/semantics/article |