Possible monoclinic distortion of Mo2GaC under high pressure
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...
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Veröffentlicht in: | Journal of applied physics 2020-04, Vol.127 (14) |
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Sprache: | eng |
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Zusammenfassung: | 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. |
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ISSN: | 0021-8979 1089-7550 1089-7550 |
DOI: | 10.1063/1.5140182 |