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

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

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

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

^*Corresponding author for this work

Materials Science and Engineering

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
State	Published - Dec 1 1997
Event	Proceedings of the 1997 MRS Fall Meeting - Boston, MA, USA Duration: Dec 1 1997 → Dec 4 1997

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Cite this

@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, {David N} and Muller, {D. A.} and J. Silcox and Chisholm, {M. F.} and Yang, {L. H.}",

year = "1997",

month = dec,

day = "1",

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",

}

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, David N

AU - Muller, D. A.

AU - Silcox, J.

AU - Chisholm, M. F.

AU - Yang, L. H.

PY - 1997/12/1

Y1 - 1997/12/1

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.

UR - http://www.scopus.com/inward/record.url?scp=0031364022&partnerID=8YFLogxK

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M3 - Conference article

AN - SCOPUS:0031364022

SN - 0272-9172

VL - 492

SP - 103

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

ASJC Scopus subject areas

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