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- W2327298897 abstract "Abstract According to the new experimentally discovered Cr 2 (Al x Ge 1− x )C ( x = 0, 0.25, 0.5, 0.75, 1) alloys, we have studied the structural, mechanical, electronic and optical properties based on the first-principles calculation. Obtained structural parameters and distortion parameters are in good agreement with experimental results. It is shown that all the considered compounds are elastically stable and present results classify the Cr 2 (Al x Ge 1− x )C ( x ⩽ 0.5) alloys as ductile while the Cr 2 (Al 0.75 Ge 0.25 )C and Cr 2 AlC as brittle. Electronic and optical properties demonstrate that all the considered M 2 AX compounds have a metallic character, and they are predictive of promising good coating materials." @default.
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- W2327298897 date "2014-01-01" @default.
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- W2327298897 title "A first-principles study on the structural, mechanical, electronic and optical properties of the Cr2(Al Ge1−)C alloys" @default.
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- W2327298897 doi "https://doi.org/10.1016/j.jallcom.2013.08.100" @default.
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