Possible monoclinic distortion of Mo2GaC under high pressure.

Autor: Nikolaevsky, Mark, Friedman, Roee, Dahlqvist, Martin, Hornik, Mishael, Sterer, Eran, Barsoum, Michel W., Rosen, Johanna, Melchior, Aviva, Caspi, El'ad N.
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Zdroj: Journal of Applied Physics; 4/14/2020, Vol. 127 Issue 14, p1-12, 12p, 1 Diagram, 2 Charts, 12 Graphs
Abstrakt: In this work, we present high-pressure diffraction results of the Mo-based Mn+1AXn phase, Mo2GaC. A diamond anvil cell was used to compress the material up to 30 GPa, and x-ray diffraction was used to determine the structure and unit cell parameters as a function of pressure. Somewhat surprisingly, we find that, at 295 ± 25 GPa, the bulk modulus of Mo2GaC is the highest reported of all the MAX phases measured to date. The c/a ratio increases with increasing pressure. At above 15 GPa, a splitting in the (1 0 0) reflection occurs. This result, coupled with new density functional theory calculations, suggests that a second order phase transition to possibly a mixture of hexagonal and monoclinic structures may explain this splitting. Such experimentally and theoretically supported phase transitions were not predicted in previously published calculations. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index