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

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

International Journal of Modern Physics C (IJMPC), 2008, vol. 19, issue 08, 1269-1275

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.

Keywords: Transition metal dioxides; first-principles; elastic property; incompressibility; 61.50.-f; 62.20.-x; 71.15.Mb; 71.20.-b; 77.74.Bw; 78.20.Ga (search for similar items in EconPapers)
Date: 2008
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DOI: 10.1142/S0129183108012856

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