Article ID Journal Published Year Pages File Type
1562002 Computational Materials Science 2012 9 Pages PDF
Abstract
► Based on DFT calculations, RBRh3 (R = Sc, Y, La and Lu) have been investigated. ► These compounds have a mixture of covalent-ionic and metallic for bonding. ► RBRh3 materials show mechanical stability and high elastic moduli. ► The RBRh3 compounds clearly behave plastically as predicted by the B/G ration. ► The phonon properties of RBRh3 are investigated for the first time.
Keywords
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
Preview
Theory study of structural parameters, elastic stiffness, electronic structures and lattice dynamics of RBRh3 (R = Sc, Y, La and Lu)
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