TY - JOUR
T1 - Si-doping effect on bonding nature and elasticity of AlMB14 with M=Li, Mg, and Na
AU - Sahara, Ryoji
AU - Shishido, Toetsu
AU - Nomura, Akiko
AU - Kudo, Kunio
AU - Okada, Shigeru
AU - Kumar, Vijay
AU - Nakajima, Kazuo
AU - Kawazoe, Yoshiyuki
PY - 2009
Y1 - 2009
N2 - 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.
AB - 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.
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U2 - 10.1088/1742-6596/176/1/012018
DO - 10.1088/1742-6596/176/1/012018
M3 - Article
AN - SCOPUS:69549135697
SN - 1742-6588
VL - 176
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
M1 - 012018
ER -