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Possible monoclinic distortion of Mo2GaC under high pressure
Journal article   Open access   Peer reviewed

Possible monoclinic distortion of Mo2GaC under high pressure

Mark Nikolaevsky, Roee Friedman, Martin Dahlqvist, Mishael Hornik, Eran Sterer, Michel W. Barsoum, Johanna Rosén, Aviva Melchior and Elad N. Caspi
Journal of applied physics, v 127(14)
2020
DOI: https://doi.org/10.1063/1.5140182
url
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-165474View
SubmittedOpen Access (License Unspecified),  Open

Abstract

Condensed Matter Physics Den kondenserade materiens fysik Fysik Natural Sciences Naturvetenskap Physical Sciences
In this work, we present high-pressure diffraction results of the Mo-based M-n (+) (1)AX(n) 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.

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Physics, Applied
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