Journal
PHYSICAL REVIEW B
Volume 103, Issue 1, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.103.014103
Keywords
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Funding
- Polish Ministry of Science and Higher education [1064/MOB/13/2014/0]
- COMPRES under NSF [EAR-1606856]
- GSECARS through NSF [EAR-1634415]
- DOE [DE-FG02-94ER14466]
- National Science Foundation Earth Sciences [EAR-1634415]
- Department of Energy-GeoSciences [DE-FG02-94ER14466]
- DOE-NNSA [DE-NA0001974]
- DOE-BES [DE-FG02-99ER45775]
- NSF
- DOE Office of Science [DE-AC02-06CH11357]
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High-pressure investigation of As2Se3 using synchrotron x-ray powder diffraction with hydrogen and neon pressure media led to the observation of phase transformations and confirmation of the relative stability of experimentally detected crystalline phases.
Utilizing the synchrotron x-ray powder diffraction As2Se3 has been investigated under high pressure in a diamond anvil cell with hydrogen and neon applied as the pressure media. For both systems the amorphous samples were compressed to ca. 2-3 GPa and heated in situ by a laser, which led to their crystallization in the R-3 m, Bi2Te3-type phase. During further compression this phase transforms to the C2/m, beta-Sb2Te3-type structure, and they coexist within the pressure range of 21.5-33.0 GPa. The latter phase is observed up to the highest achieved pressure of 52.0 GPa, revealing no signs of reaction with the hydrogen pressure-transmitting medium. The pressure evolution of the volume of the reported phases has been described by the third-order Birch-Murnaghan equation of state. The relative stability of the experimentally detected crystalline phases is confirmed by the density functional theory calculations. The pressure-driven evolution of the As-Se distances and coordination number has been discussed in comparison to the recent findings concerning the amorphous a-As2Se3 phase.
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