Structural and mechanical stability of rare-earth diborides

Date

2013-04-01

Author

Ozisik, Haci
Deligoz, Engin
Colakoglu, Kemal
Sürücü, Gökhan

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Structural and mechanical properties of several rare-earth diborides were systematically investigated by first principles calculations. Specifically, we studied XB2, where X = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, and Lu in the hexagonal AlB2, ReB2, and orthorhombic OsB2-type structures. The lattice parameters, bulk modulus, bond distances, second order elastic constants, and related polycrystalline elastic moduli (e. g., shear modulus, Young's modulus, Poisson's ratio, Debye temperature, sound velocities) were calculated. Our results indicate that these compounds are mechanically stable in the considered structures, and according to "Chen's method", the predicted Vickers hardness shows that they are hard materials in AlB2- and OsB2-type structures.

URI

https://hdl.handle.net/11511/88982

Journal

CHINESE PHYSICS B

DOI

https://doi.org/10.1088/1674-1056/22/4/046202

Collections

Department of Physics, Article

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Citation Formats

H. Ozisik, E. Deligoz, K. Colakoglu, and G. Sürücü, “Structural and mechanical stability of rare-earth diborides,” CHINESE PHYSICS B, pp. 0–0, 2013, Accessed: 00, 2021. [Online]. Available: https://hdl.handle.net/11511/88982.