Skip to main content Accessibility help

Atomic Structure of a Polar Ceramic/Metal Interface: {222}MgO/Cu

  • R. Benedek (a1), D. A. Shashkov (a1), D. N. Seidman (a1), D. A. Muller (a2), J. Silcox (a2), M. F. Chisholm (a3) and L. H. Yang (a4)...


{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.



Hide All
1. Rühle, M. et al., eds., Acta Metall. Mater. S40 (1992).
2. Shashkov, D. A. and Seidman, D. N., Phys. Rev. Lett. 75, 268 (1995).
3. Shashkov, D. A., Chisholm, M. F., and Seidman, D. N., unpublished;
Shashkov, D. A., Ph. D. thesis, Northwestern University, 1997.
4. Muller, D. A., Shashkov, D. A., Benedek, R., Yang, L. H., Silcox, J., and Seidman, D. N., submitted for publication, 1997.
5. Vellinga, W. P. and De Hosson, J. Th. M., Mat. Sci. Forum 207–209, 361 (1996);
De Hosson, J. Th. M., Vellinga, W. P., Zhou, X. P., and Vitek, V., in Stability of Materials, edited by Gonis, A., et al. (Plenum, New York, 1996);
Vellinga, W. P., De Hosson, J. Th. M., and Vitek, V., Acta. Mater. 45, 1525 (1997).
6. Lu, P. and Cosandey, F., Ultramicroscopy 40, 271 (1992);
Chen, F. R. et al., Ultramicroscopy. 54, 179 (1994).
7. Finnis, M. W., J. Phys.: Condens. Matter 8, 5811 (1996).
8. Purton, J., Parker, S. C., and Bullett, D. W., J. Phys.: Condens. Matter 9, 5709 (1997).
9. Li, J. G., Mater. Chem. and Phys. 47, 126 (1997).
10. Jang, H., Seidman, D. N., and Merkle, K. L., Interface Sci. 1, 61 (1993).
11. Benedek, R., Seidman, D. N., and Yang, L. H., Microsc. Microanal. 3, 333 (1997).
12. Shashkov, D. A., Muller, D. A., and Seidman, D. N., unpublished.
13. Benedek, R., Minkoff, M., and Yang, L. H., Phys. Rev. B54, 7697 (1996).
14. Smith, J. R., Hong, T., and Srolovitz, D. J., Phys. Rev. Lett. 72, 4021 (1994).
15. Benedek, R., Seidman, D. N., Minkoff, M. and Yang, L. H., submitted for publication.
16. Jang, H., Shashkov, D. A., and Seidman, D. N., unpublished.
17. Chan, D. K., Seidman, D. N., and Merkle, K. L., Phys. Rev. Lett. 75, 1118 (1995);
Chan, D. K., Seidman, D. N., and Merkle, K. L., Appl. Surf. Sci. 94/95, 409 (1996).
18. Mader, W. and Knauss, D., in ref. 1, p 207.


Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed