Si-doping effect on bonding nature and elasticity of AlMB14 with M=Li, Mg, and Na

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Abstract

We study the effects of Si doping on the bonding nature and elastic properties of AlMB14 compounds having B12 icosahedral clusters with M Li, Mg, and Na, by means of ab initio calculations. We find that Si substitution leads to a decrease in the cohesive energy as well as in the values of the bulk, shear, and Young's moduli. © 2009 IOP Publishing Ltd.

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Sahara, R., Shishido, T., Nomura, A., Kudo, K., Okada, S., Kumar, V., … Kawazoe, Y. (2009). Si-doping effect on bonding nature and elasticity of AlMB14 with M=Li, Mg, and Na. Journal of Physics: Conference Series, 176. https://doi.org/10.1088/1742-6596/176/1/012018

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