Hostname: page-component-586b7cd67f-rcrh6 Total loading time: 0 Render date: 2024-11-29T09:16:52.493Z Has data issue: false hasContentIssue false
  • English
  • Français

Atomistic Calculations and Hrtem Observations of an [001] Tilt Boundary in Rutile

Published online by Cambridge University Press:  21 February 2011

W.-Y. Lee ,
P.D. Bristowe ,
I.G. Solorzano  and
J.B. Vandersande
W.-Y. Lee
Affiliation:
Massachusetts Institute of Technology, Department of Materials Science and Engineering, 77 Massachusetts Avenue, Cambridge, MA 02139, U.S.A.
P.D. Bristowe
Affiliation:
Massachusetts Institute of Technology, Department of Materials Science and Engineering, 77 Massachusetts Avenue, Cambridge, MA 02139, U.S.A.
I.G. Solorzano
Affiliation:
Massachusetts Institute of Technology, Department of Materials Science and Engineering, 77 Massachusetts Avenue, Cambridge, MA 02139, U.S.A.
J.B. Vandersande
Affiliation:
Massachusetts Institute of Technology, Department of Materials Science and Engineering, 77 Massachusetts Avenue, Cambridge, MA 02139, U.S.A.
Get access

Abstract

The equilibrium atomic structure of the ∑=15 36.9° (210)[001] tilt boundary in rutile (TiO2) has been computed using an ionic shell model and compared to a high-resolution electron microscope image of the same boundary using image simulation. The lowest energy structure of the boundary is characterized by an in-plane translation of a/6[120] relative to the mirrorsymmetric CSL configuration in agreement with the electron microscope observations.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 319: Symposia CB – Defect-Interface Interactions , 1993 , 239
Copyright
Copyright © Materials Research Society 1994

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Goto, K.S., Solid State Electrochemistry and its Applications to Sensors and Electronic Devices, (Elsevier Science Publishers, New York, 1988).Google Scholar
2. Bursill, L.A. and Hyde, B.G., Prog.Solid State Chem., 7, 177 (1972).CrossRefGoogle Scholar
3. Suzuki, K., Ichihara, M., and Takeuchi, S., Philos. Mag. A, 63, 657 (1991).CrossRefGoogle Scholar
4. Gao, Y., Merkle, K.L., Chang, H.L., Zhang, T.J. and Lam, D.J., Philos.Mag. A. 65, 1103 (1992).CrossRefGoogle Scholar
5. Lee, W.-Y., Bristowe, P.D., Gao, Y., and Merkle, K.L., Philos. Mag. Letts., 68, 309 (1993).CrossRefGoogle Scholar
6. Matsushima, F., Fukutomi, H., and Iguchi, E., Trans. Japan Inst. Metals, 28. 869 (1987).CrossRefGoogle Scholar
7. Haggerty, J.S. and Wills, K.C., Ceram. Eng. Sci. Proc. 12[9-10], 1785 (1991)CrossRefGoogle Scholar
8. Harding, J.H., Harwell Report No. AERE-R13127 (1988).Google Scholar
9. Catlow, C.R.A., Freeman, C.M., and Royle, R.L., Physica, 131B, 1 (1985).Google Scholar
10. Stadelmann, P.A., Ultramicroscopy, 21, 131 (1987).CrossRefGoogle Scholar