Scholarly Works, Materials Science and Engineering (MSE)

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https://hdl.handle.net/10919/24370
Research articles, presentations, and other scholarship

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Browsing Scholarly Works, Materials Science and Engineering (MSE) by Subject "1st principles"

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    Conformal miniaturization of domains with low domain-wall energy: Monoclinic ferroelectric states near the morphotropic phase boundaries
    Jin, Y. M.; Wang, Yu. U.; Khachaturyan, Armen G.; Li, Jiefang; Viehland, Dwight D. (American Physical Society, 2003-11-07)
    A theory is developed for intermediate monoclinic (FEm) phases near morphotropic phase boundaries in ferroelectrics of complex oxides. It is based on the conformal miniaturization of stress-accommodating tetragonal domains under the condition of low domain-wall energy density. The microdomain-averaged lattice parameters are determined and attributed to the parameters of an adaptive monoclinic phase. The theory is applied to the temperature, electric field, and compositional dependent FEm lattice parameters. The predictions of the theory are rigidly obeyed over the entire FEm stability range.
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    Direct high-resolution transmission electron microscopy observation of tetragonal nanotwins within the monoclinic M(C) phase of Pb(Mg(1/3)Nb(2/3))O(3)-0.35PbTiO(3) crystals
    Bhattacharyya, Somnath; Jinschek, J. R.; Cao, Hu; Wang, Yu. U.; Li, Jiefang; Viehland, Dwight D. (AIP Publishing, 2008-04-01)
    We report on the direct observation of tetragonal nanodomains within an average monoclinic M(C) phase of Pb(Mg(1/3)Nb(2/3))O(3)-0.35PbTiO(3) single crystals by high-resolution transmission electron microscopy. These nanodomains are geometrically arranged in alternating layers of twins. The findings are consistent with the fundamental underlying assumptions of the ferroelectric adaptive phase theory.
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    Monoclinic M-C phase in (001) field cooled BaTiO3 single crystals
    Cao, Hu; Devreugd, Christopher P.; Ge, Wenwei; Li, Jiefang; Viehland, Dwight D.; Luo, Haosu; Zhao, X. Y. (AIP Publishing, 2009-01-01)
    We report here the finding of a new phase in BaTiO3 single crystals. High precision x-ray diffraction investigations of (001) field cooled crystals have shown the presence of a monoclinic M-C phase for temperatures below 300 K. This M-C phase is shown to be stable upon removal of the electric field. The results demonstrate the presence of structurally bridging low symmetry phases that lie between tetragonal and rhombohedral ones in this classic perovskite system: indicating a means to achieve high piezoelectricity in Pb-free systems via domain engineering.