Quantitative high-pressure pair distribution function analysis of nanocrystalline gold

Martin, C. David; Antao, Sytle M.; Chupas, Peter J.; Lee, Peter L.; Shastri, Sarvjit D.; Parise, John B.
February 2005
Applied Physics Letters;2/7/2005, Vol. 86 Issue 6, p061910
Academic Journal
Using a diamond anvil cell with high-energy monochromatic x rays, we have studied the total scattering of nanocrystalline gold to 20 Ã…-1 at pressures up to 10 GPa in a hydrostatic alcohol pressure-medium. Through direct Fourier transformation of the structure function [S(Q)], pair distribution functions (PDFs) [G(r)] are calculated without Kaplow-type iterative corrections. Quantitative high-pressure PDF (QHP-PDF) analysis is performed via full-profile least-squares modeling and confirmed through comparison of Rietveld analysis of Bragg diffraction. The quality of the high pressure PDFs obtained demonstrates the integrity of our technique and suggests the feasibility of future QHP-PDF studies of liquids, disordered solids, and materials at phase transition under pressure.


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