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arXiv · 0807.3251

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

Yanling Li·Zhi Zeng
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Abstract

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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Yanling Li, Zhi Zeng. 2008-07-21. Elastic properties of transition metal dioxides: XO$_{2}$(X=Ru, Rh, Os, Ir). https://doi.org/10.1142/s0129183108012856

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