First-principles calculations of structural, electronic, and elastic properties of MgZrSi2O7

Article ID	Journal	Published Year	Pages	File Type
1523313	Materials Chemistry and Physics	2012	4 Pages	PDF

Abstract

âº For the first time, the electronic and elastic properties of MgZrSi2O7 were calculated. âº Elastic anisotropy of MgZrSi2O7 was analyzed. âº The greatest and smallest values of the Young's moduli were determined.

Keywords

D. elastic properties D. electronic structure C. ab initio calculations

Related Topics

Physical Sciences and Engineering Materials Science Electronic, Optical and Magnetic Materials

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First-principles calculations of structural, electronic, and elastic properties of MgZrSi2O7

Authors

M.G. Brik, A.M. Srivastava,