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

Ryoji Sahara, Toetsu Shishido, Akiko Nomura, Kunio Kudo, Shigeru Okada, Vijay Kumar, Kazuo Nakajima, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

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.

Original languageEnglish
Article number012018
JournalJournal of Physics: Conference Series
Volume176
DOIs
Publication statusPublished - 2009

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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