Document Detail

Electronic structure, linear, and nonlinear optical responses in magnetoelectric multiferroic material BiFeO(3).
MedLine Citation:
PMID:  19508088     Owner:  NLM     Status:  PubMed-not-MEDLINE    
BiFeO(3) has attracted great interest for its multiferroic property. The spontaneous electric polarization, multiferroism, and static magnetoelectric coupling have been widely studied both experimentally and theoretically. Here, in this paper, we report on the effects of magnetic ordering, spin fluctuation, and external magnetic field on the linear dielectric function and second-harmonic generation (SHG) in multiferroic BiFeO(3). First, our generalized gradient approximation plus Hubbard U calculations reproduce very well experimental data of linear dielectric function. In the mean time, it is revealed that SHG susceptibilities differ dramatically between antiferromagnetic configuration and ferromagnetic one, which is due to the enhanced contrast in the double-photon resonance absorption. Further Monte Carlo simulation of the coupling between electric order and spin-pair correlation function is presented for the spin fluctuation dependence of SHG. The significant nonlinear optical magnetoelectric effect around the Neel temperature provides novel route to enhancing magnetoelectric coupling in multiferroic materials.
Sheng Ju; Tian-Yi Cai; Guang-Yu Guo
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  130     ISSN:  1089-7690     ISO Abbreviation:  J Chem Phys     Publication Date:  2009 Jun 
Date Detail:
Created Date:  2009-06-10     Completed Date:  2009-08-13     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  214708     Citation Subset:  -    
Department of Physics and Jiangsu Key Laboratory of Thin Films, Soochow University, Suzhou 215006, China.
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