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American Physical Society, Physical review B, 18(79)

DOI: 10.1103/physrevb.79.184101

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High-pressure phase transformations, pressure-induced amorphization, and polyamorphic transition of the clathrateRb6.15Si46

This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Data provided by SHERPA/RoMEO

Abstract

The type-I clathrate Rb6.15Si46 with partly empty cage sites has been studied up to 36 GPa using Raman spectroscopy, synchrotron x-ray diffraction in diamond-anvil cells, and ab initio total-energy and lattice-dynamics calculations. A first phase transition is observed at 13±1GPa and a ``volume collapse'' transition within the clathrate structure is then observed at 24±1GPa . Pressure-induced amorphization into a high-density amorphous (HDA) state occurs above P=33±1GPa . The HDA form transforms into a low-density amorphous polymorph during decompression. During the compression study using angle dispersive synchrotron x-ray diffraction techniques we measured bulk modulus parameters for rocksalt-structured TaO, included adventitiously in the clathrate sample [ K0=293(3)GPa and K0'=5.4(3) ].