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Pressure induced structural phase transition in triglycine sulfate and triglycine selenate.
MedLine Citation:
PMID:  17949196     Owner:  NLM     Status:  PubMed-not-MEDLINE    
Abstract/OtherAbstract:
To elucidate the cause of destruction of ferroelectricity with pressure in triglycine sulfate and triglycine selenate, we have investigated these compounds with the help of Raman measurements as well as first principles total energy and structural optimization calculations. Our results show that, beyond the critical pressures, the loss of ferroelectricity in these compounds is due to the conformational change in one of the three glycine ions of these crystals. Our studies suggest that pressure induced phase transition might be of displacive nature unlike the temperature induced ferroelectric phase transition in these crystals which is known to be of order-disorder type.
Authors:
Rajul Ranjan Choudhury; H K Poswal; R Chitra; Surinder M Sharma
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  127     ISSN:  0021-9606     ISO Abbreviation:  J Chem Phys     Publication Date:  2007 Oct 
Date Detail:
Created Date:  2007-10-22     Completed Date:  2007-12-13     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  154712     Citation Subset:  -    
Affiliation:
Solid State Physics Division, Bhabha Atomic Research Center, Trombay, Mumbai 400085, India. rajul@barc.gov.in
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