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Si-doping effect on bonding nature and elasticity of AlMB14 with M=Li, Mg and NaPublished in
2009
Volume: 176
Issue: 1
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. {\textcopyright} 2009 IOP Publishing Ltd.
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Content may be subject to copyright.This is an author-created, un-copyedited version of an article accepted for publication/published in Journal of Physics:... ...This is an author-created, un-copyedited version of an article accepted for publication/published in Journal of Physics: Conference Series. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at https://doi.org/10.1088/1742-6596/176/1/012018
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