Elastic properties of transition metal dioxides: XO$_{2}$(X=Ru, Rh, Os, Ir)

Details Elastic properties of transition metal dioxides: XO$_{2}$(X=Ru, Rh, Os, Ir) Elastic properties of transition metal dioxides: XO$_{2}$(X=Ru, Rh, Os, Ir)

2008-07-21

arxiv.org/abs/0807.3251v1

Int. J. Mod. Phys C 19, 1269 (2008)

Physics

Condensed Matter

Materials Science

14pages,2 figures,4 tables. To be published in Int. J. Mod. Phys. C

Scientific paper

10.1142/S0129183108012856

The elastic properties of rutile transition metal dioxides XO$_{2}$ (X=Ru, Rh, Os, and Ir) are investigated using first-principles calculations based on density functional theory. Elastic constants, bulk modulus, shear modulus, and Young's modulus as well as Possion ratio are given. OsO$_2$ and IrO$_2$ show strong incompressibility. The hardness estimated for these dioxides shows that they are not superhard solids. The obtained Debye temperatures are comparative to those of transition metal dinitrides or diborides.

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