1. Synthesis and characterization of XeAr2 under high pressure.
- Author
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Wang, Mengnan, Kuzovnikov, Mikhail A., Binns, Jack, Li, Xiaofeng, Peña-Alvarez, Miriam, Hermann, Andreas, Gregoryanz, Eugene, and Howie, Ross T.
- Subjects
DIAMOND anvil cell ,DENSITY functional theory ,RAMAN spectroscopy ,SPACE groups - Abstract
The binary Xe–Ar system has been studied in a series of high pressure diamond anvil cell experiments up to 60 GPa at 300 K. In-situ x-ray powder diffraction and Raman spectroscopy indicate the formation of a van der Waals compound, XeAr
2 , at above 3.5 GPa. Powder x-ray diffraction analysis demonstrates that XeAr2 adopts a Laves MgZn2 -type structure with space group P63 /mmc and cell parameters a = 6.595 Å and c = 10.716 Å at 4 GPa. Density functional theory calculations support the structure determination, with agreement between experimental and calculated Raman spectra. Our DFT calculations suggest that XeAr2 would remain stable without a structural transformation or decomposition into elemental Xe and Ar up to at least 80 GPa. [ABSTRACT FROM AUTHOR]- Published
- 2023
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