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16 April 2024
 
  » arxiv » cond-mat/0604259

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Structure and dielectric response in the high $T_c$ ferroelectric Bi(Zn,Ti)O$_3$-PbTiO$_3$ solid solutions
Ilya Grinberg ; Matthew R. Suchomel ; Wojtek Dmowski ; Sara E. Mason ; Hui Wu ; Peter K. Davies ; Andrew M. Rappe ; PostScript ; PDF ; Other formats ;
Date 10 Apr 2006
Subject Materials Science
AbstractTheoretical {em ab initio} and experimental methods were used to investigate the $x$Bi(Zn,Ti)O$_3$-(1-$x$)PbTiO$_3$ (BZT-PT) solid solution. We find that hybridization between Zn 4$p$ and O 2$p$ orbitals allows the formation of short, covalent Zn-O bonds, enabling favorable coupling between A-site and B-site displacements. This leads to large polarization, strong tetragonality and an elevated ferroelectric to paraelectric phase transition temperature. nhomogeneities in local structure near the 90$^circ$ domain boundaries can be deduced from the asymetric peak broadening in the neutron and x-ray diffraction spectra. These extrinsic effects make the ferroelectric to paraelectric phase transition diffuse in BZT-PT solid solutions.
Source arXiv, cond-mat/0604259
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