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    Item type:Article, Access status: Open Access ,
    Quantum mechanical calculations of elastic properties of doped tetragonal yttria-stabilized zirconium dioxide
    (Wydawnictwa AGH, 2008) Natanzon, Yuriy; Łodziana, Zbigniew
    We report first principles calculations of the electronic and elastic properties of yttria-stabilized tetragonal zirconium dioxide doped with metal oxides like: GeO2, TiO2, SiO2, MgO and Al2O3. It is shown that addition of such dopants affects selected elastic properties of ZrO2, which is driven by the attraction of electron density by dopant atom and creation of stronger dopant-oxygen bonds. This effect contributes to the increase of superplasticity of doped material.