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Pressure-induced amorphization of CuFeS2 studied by 57 Fe nuclear resonant inelastic scattering
 

Summary: Pressure-induced amorphization of CuFeS2 studied by 57
Fe nuclear resonant inelastic scattering
Hisao Kobayashi,* Junpei Umemura, Yutaka Kazekami, and Nobuhiko Sakai
Graduate School of Material Science, University of Hyogo, 3-2-1 Koto, Hyogo 678-1297, Japan
Dario Alfè
Department of Earth Sciences and Department of Physics and Astronomy, University of College London, London WC1E 6BT,
United Kingdom
Yasuo Ohishi and Yoshitaka Yoda
Japan Synchrotron Radiation Institute, Hyogo 679-5198, Japan
Received 25 June 2007; revised manuscript received 4 September 2007; published 19 October 2007
Static and dynamic structural properties of CuFeS2 under high pressure were investigated by x-ray diffrac-
tion and 57
Fe nuclear resonant inelastic scattering. Using x-ray diffraction, we obtained evidence that a
pressure-induced amorphization occurs at about 6.3 GPa, which represents a metal-insulator transition. Al-
though partial phonon densities of states extracted from 57
Fe nuclear resonant inelastic scattering spectra are
similar in the two phases, the derived thermodynamical parameters show anomaly at the transition. The results
of extracted partial phonon densities of states and ab initio phonon calculations indicate that this pressure-
induced amorphization is caused by anomalous pressure dependences of the lower optical phonon branches and
the initial slopes of the transverse acoustic phonon branches.

  

Source: Alfè, Dario - Departments of Earth Sciences & Physics and Astronomy, University College London

 

Collections: Physics; Geosciences