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ELASTIC PROPERTIES OF TRANSITION METAL DIOXIDES: XO2(X=Ru,Rh,Os,andIr)

Author

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  • YANLING LI

    (Department of Physics, Xuzhou Normal University, Xuzhou, 221116, P. R. China;
    Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, P. R. China)

  • ZHI ZENG

    (Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, P. R. China)

Abstract

The elastic properties of rutile transition metal dioxides XO2(X=Ru,Rh,Os, andIr) 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.OsO2andIrO2show 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.

Suggested Citation

  • Yanling Li & Zhi Zeng, 2008. "ELASTIC PROPERTIES OF TRANSITION METAL DIOXIDES: XO2(X=Ru,Rh,Os,andIr)," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 19(08), pages 1269-1275.
    • Handle: RePEc:wsi:ijmpcx:v:19:y:2008:i:08:n:s0129183108012856
    DOI: 10.1142/S0129183108012856
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