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EXAFS study on liquid gallium under high pressure and high temperature
L Comez1, A Di Cicco, M Minicucci
1INFM, Dip. di Matematica e Fisica, Univ. degli Studi di Camerino, Italy. comez@pcxas4.unicam.it
Journal of Synchrotron Radiation
|August 22, 2001
Summary
Extended X-ray Absorption Fine Structure (EXAFS) of liquid gallium was studied under various pressures and temperatures. Advanced calculations revealed reliable short-range pair distribution functions, integrating medium and long-range structural data.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Physical Chemistry
Background:
- Liquid gallium exhibits complex structural behavior under varying conditions.
- Understanding the short-range atomic arrangements is crucial for modeling its properties.
Purpose of the Study:
- To determine reliable short-range pair distribution functions for liquid gallium.
- To investigate the structural evolution of liquid gallium across wide pressure and temperature ranges.
Main Methods:
- Collected Extended X-ray Absorption Fine Structure (EXAFS) spectra near the Gallium K-edge.
- Employed advanced ab-initio calculations (GNXAS) for data analysis.
- Integrated EXAFS data with prior neutron and X-ray scattering results for medium and long-range structure.
Main Results:
- Successfully determined reliable short-range pair distribution functions for liquid gallium.
- The study covered a broad spectrum of pressure and temperature conditions.
- Ab-initio calculations effectively accounted for both local and extended structural information.
Conclusions:
- The applied methodology provides accurate short-range structural information for liquid metals.
- This research enhances the understanding of liquid gallium's phase behavior and atomic interactions.