Atomic structure of a polar ceramic/metal interface: {l_brace}222{r_brace}MgO/Cu

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{l_brace}222{r_brace}MgO/Cu is one of the most extensively characterized ceramic/metal interfaces, in view of the atom probe field ion microscopy, Z-contrast Scanning Transmission Electron Microscopy (STEM), and spatially resolved Electron energy loss spectroscopy (EELS) measurements performed by the present authors, as well as the high resolution electron microscopy (HREM) of this system by others. Atomistic simulations with local density functional theory (LDFT) and Molecular Dynamics (MD) have been performed to gain additional insight into the structure of this interface. This presentation describes an interface interatomic potential for {l_brace}222{r_brace}MgO/Cu derived from LDFT total energy calculations, and its application to structural properties, including ... continued below

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11 p.

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Benedek, R.; Shashkov, D.A.; Seidman, D.N.; Muller, D.A.; Silcox, J.; Chisholm, M.F. et al. February 1, 1998.

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{l_brace}222{r_brace}MgO/Cu is one of the most extensively characterized ceramic/metal interfaces, in view of the atom probe field ion microscopy, Z-contrast Scanning Transmission Electron Microscopy (STEM), and spatially resolved Electron energy loss spectroscopy (EELS) measurements performed by the present authors, as well as the high resolution electron microscopy (HREM) of this system by others. Atomistic simulations with local density functional theory (LDFT) and Molecular Dynamics (MD) have been performed to gain additional insight into the structure of this interface. This presentation describes an interface interatomic potential for {l_brace}222{r_brace}MgO/Cu derived from LDFT total energy calculations, and its application to structural properties, including the terminating species, the absence of dislocation standoff, and the symmetry of the interfacial dislocation network.

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11 p.

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OSTI as DE98003391

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  • 1997 fall meeting of the Materials Research Society, Boston, MA (United States), 1-5 Dec 1997

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  • Other: DE98003391
  • Report No.: ORNL/CP--97020
  • Report No.: CONF-971201--
  • Grant Number: AC05-96OR22464
  • Office of Scientific & Technical Information Report Number: 650149
  • Archival Resource Key: ark:/67531/metadc709754

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  • February 1, 1998

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  • Sept. 12, 2015, 6:31 a.m.

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  • Jan. 21, 2016, 3:30 p.m.

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Benedek, R.; Shashkov, D.A.; Seidman, D.N.; Muller, D.A.; Silcox, J.; Chisholm, M.F. et al. Atomic structure of a polar ceramic/metal interface: {l_brace}222{r_brace}MgO/Cu, article, February 1, 1998; Tennessee. (digital.library.unt.edu/ark:/67531/metadc709754/: accessed October 19, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.