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High pressure structural and vibrational properties of the spin-gap system Cu(2)PO(4)(OH).
MedLine Citation:
PMID:  23258210     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
The structural and vibrational properties of the spin-gapped system Cu(2)PO(4)(OH) have been investigated at room temperature under high pressure up to ∼20 GPa by Raman scattering and synchrotron-based x-ray diffraction and infrared (IR) spectroscopic measurements. The orthorhombic phase (space group Pnnm, z = 4) remains stable up to at least 7 GPa where it undergoes a weakly first order structural transition (with negligible volume drop) to a monoclinic phase (space group P2(1)/n, z = 4) with an abrupt monoclinic distortion. Refinement of atomic positions has been performed for the low pressure phase. The conspicuous changes in the vibrational spectra (Raman as well as far-IR) confirm this phase transition. At further higher pressures the monoclinic angle increases rapidly and the system transforms irreversibly into a disordered phase. Detailed vibrational analyses have been performed in the orthorhombic phase and pressure-induced structural evolution has been correlated with the vibrational modes corresponding to the Cu-O bonds. A strong negative pressure dependence of hydroxyl mode frequencies (as observed from the mid-IR absorption spectra) supports the pressure-induced structural disordering at higher pressures.
Authors:
Pallavi S Malavi; S Karmakar; Debjani Karmakar; A K Mishra; H Bhatt; N N Patel; Surinder M Sharma
Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-12-20
Journal Detail:
Title:  Journal of physics. Condensed matter : an Institute of Physics journal     Volume:  25     ISSN:  1361-648X     ISO Abbreviation:  J Phys Condens Matter     Publication Date:  2012 Dec 
Date Detail:
Created Date:  2012-12-21     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101165248     Medline TA:  J Phys Condens Matter     Country:  -    
Other Details:
Languages:  ENG     Pagination:  045402     Citation Subset:  -    
Affiliation:
High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085, India.
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