Document Detail

Fano resonance and dipolar relaxation in lead-free relaxors.
MedLine Citation:
PMID:  25369904     Owner:  NLM     Status:  In-Data-Review    
Fano resonance is a phenomenon in which a discrete state interferes with a continuum of states and has been observed in many areas of science. Here, we report on the prediction of a Fano resonance in ferroelectric relaxors, whose properties are poorly understood: an ab initio molecular dynamic scheme reveals such resonance between the bare optical phonon mode of the Zr sublattice (the discrete state) and the bare optical phonon mode of the Ti sublattice (the continuum of states) in disordered lead-free Ba(Zr,Ti)O3. The microscopic origins of the discrete state and continuum of states are discussed in the context of relaxor properties. Furthermore, our simulations suggest that the T* characteristic temperature of relaxor is related to a hardening of the vibrational frequencies associated with fluctuation of the Ti sublattice. Finally, a terahertz relaxation mode reflecting reorientations of Ti dipoles and showing a thermally activated behaviour is predicted, in agreement with previous experiments.
D Wang; J Hlinka; A A Bokov; Z-G Ye; P Ondrejkovic; J Petzelt; L Bellaiche
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Publication Detail:
Type:  Journal Article     Date:  2014-11-05
Journal Detail:
Title:  Nature communications     Volume:  5     ISSN:  2041-1723     ISO Abbreviation:  Nat Commun     Publication Date:  2014  
Date Detail:
Created Date:  2014-11-05     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101528555     Medline TA:  Nat Commun     Country:  England    
Other Details:
Languages:  eng     Pagination:  5100     Citation Subset:  IM    
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