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Theoretical Modeling and Experimental Characterization of Planar Defects in Y2Ba4Cu6+Xo14+X

  • C.P. Burmester (a1), M. Fendorf (a1), L.T. Wille (a2) and R. Gronsky (a1)

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Crystallographic defects and phase transformations in the system Y2Ba4Cu6+xO14+x(0≤≤4) are investigated by high resolution transmission electron microscopy (TEM) and static lattice, three dimensional Monte Carlo computer simulations. High resolution images of partially transformed (x=2 to x=l) material reveal a prevalence of CuO planar defects (stackingfaults) associated with the transformation and an absence of disturbance to the perovskite Ba-Y-Ba blocks. An atomic mechanism involving the intercalation and removal of extra CuO planes by partial dislocation climb, and requiring only a-b plane diffusion, is developed for the formation of such planar defects during changes in the layered YBaCuO crystal structure. Monte Carlo simulations based on the proposed transformation mechanism accurately reproduce the observed defects andknown equilibrium structures.

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Theoretical Modeling and Experimental Characterization of Planar Defects in Y2Ba4Cu6+Xo14+X

  • C.P. Burmester (a1), M. Fendorf (a1), L.T. Wille (a2) and R. Gronsky (a1)

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