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Reversible devitrification in amorphous A s2 S e3 under pressure

Abstract : In pressure-induced reversible structural transitions, the term "reversible" refers to the recovery of the virgin structure in a material upon complete decompression. Pressure-induced amorphous-to-crystalline transitions have been claimed to be reversible, but evidence that amorphous material recovers its virgin amorphous structure upon complete depressurization has been lacking. In amorphous As2Se3 (a-As2Se3) chalcogenide, however, we report a novel reversible amorphous-to-crystalline transition that provides compelling experimental evidence that upon complete decompression, the recovered amorphous phase is structurally the same as that of the virgin (as-cast) amorphous phase. Combining the experimental results with ab initio molecular dynamics simulations, we elucidate that the amorphization is mediated by a surplus of total free energy in the high-pressure face-centered cubic phase as compared to the virgin amorphous phase and that the structural recovery to the virgin amorphous phase is a consequence of an enhancement in covalent bonding character over interlayer forces upon complete decompression. Furthermore, we observed a two-dimensional to three-dimensional network transition under compression and its reversibility upon decompression. © 2016 American Physical Society.
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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01416455
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Submitted on : Wednesday, December 14, 2016 - 2:55:06 PM
Last modification on : Friday, July 10, 2020 - 4:09:58 PM

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S. Cui, B. Bureau, D.-X. Zhang, X.-D. Wang, Q.-P. Cao, et al.. Reversible devitrification in amorphous A s2 S e3 under pressure. Physical Review B: Condensed Matter and Materials Physics, American Physical Society, 2016, 94 (19), pp.195211. ⟨10.1103/PhysRevB.94.195211⟩. ⟨hal-01416455⟩

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