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

R. Benedek; D. A. Shashkov; D. N. Seidman; D. A. Muller; J. Silcox; M. F. Chisholm; L. H. Yang

doi:10.1557/proc-492-103

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

R. Benedek^*, D. A. Shashkov, D. N. Seidman, D. A. Muller, J. Silcox, M. F. Chisholm, L. H. Yang

^*Corresponding author for this work

MRC - Materials Research Center

Research output: Contribution to journal › Conference article › peer-review

Abstract

{222}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 {222}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.

Original language	English (US)
Pages (from-to)	103-108
Number of pages	6
Journal	Materials Research Society Symposium - Proceedings
Volume	492
DOIs	https://doi.org/10.1557/proc-492-103
State	Published - 1997
Event	Proceedings of the 1997 MRS Fall Meeting - Boston, MA, USA Duration: Dec 1 1997 → Dec 4 1997

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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@article{2dbf0cc8c8ea47018b162c9a8e31befd,

title = "Atomic structure of a polar ceramic/metal interface: {222}MgO/Cu",

abstract = "{222}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 {222}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.",

author = "R. Benedek and Shashkov, {D. A.} and Seidman, {D. N.} and Muller, {D. A.} and J. Silcox and Chisholm, {M. F.} and Yang, {L. H.}",

year = "1997",

doi = "10.1557/proc-492-103",

language = "English (US)",

volume = "492",

pages = "103--108",

journal = "Materials Research Society Symposium - Proceedings",

issn = "0272-9172",

publisher = "Materials Research Society",

note = "Proceedings of the 1997 MRS Fall Meeting ; Conference date: 01-12-1997 Through 04-12-1997",

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TY - JOUR

T1 - Atomic structure of a polar ceramic/metal interface

T2 - Proceedings of the 1997 MRS Fall Meeting

AU - Benedek, R.

AU - Shashkov, D. A.

AU - Seidman, D. N.

AU - Muller, D. A.

AU - Silcox, J.

AU - Chisholm, M. F.

AU - Yang, L. H.

PY - 1997

Y1 - 1997

N2 - {222}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 {222}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.

AB - {222}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 {222}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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DO - 10.1557/proc-492-103

M3 - Conference article

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VL - 492

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EP - 108

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

Y2 - 1 December 1997 through 4 December 1997

ER -

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

Abstract

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