Hostname: page-component-7b7567c8c-2n9c9 Total loading time: 0 Render date: 2026-11-15T22:58:12.077Z Has data issue: false hasContentIssue false
  • English
  • Français

Structure of Dislocation Cores in GaAs

Published online by Cambridge University Press:  15 February 2011

S. P. Beckman and
D. C. Chrzan
S. P. Beckman
Affiliation:
Department of Materials Science and Engineering, University of California Berkeley, CA 94720-1760, U.S.A.Materials Sciences Division, Lawrence Berkeley National Laboratory Berkeley, CA 94720, U.S.A.
D. C. Chrzan
Affiliation:
Department of Materials Science and Engineering, University of California Berkeley, CA 94720-1760, U.S.A.Materials Sciences Division, Lawrence Berkeley National Laboratory Berkeley, CA 94720, U.S.A.
Get access

Abstract

The atomic scale structures of the partial dislocation cores in GaAs are explored using ab initio electronic structure total energy techniques. The structure of the 30° partial dislocations are expected to be period doubled along the core. The structure of the 90° partial dislocations remains more uncertain, and here, an effort is made to predict which of two proposed reconstruction, double period or single period, is more stable. The relative energies of the two core structures are found to be equal, within the accuracy of the present calculations. It is suggested that at temperature, both core reconstructions will be present.

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.)

Article purchase

Temporarily unavailable

References

[1]Chrzan, D. C. and Daw, M. S., Physical Review B 55, 798 (1997).Google Scholar
[2]Lin, K., Ph.D. thesis, U.C. Berkeley, 2000.Google Scholar
[3]Lin, K. and Chrzan, D. C., Physical Review B 60, 3799 (1999).Google Scholar
[4]Lin, X. et al., Physical Review Letters 84 5780 (2000).Google Scholar
[5]Lin, K. and Chrzan, D. C., Computer Modeling in Engineering and Sciences 3, 201 (2002).Google Scholar
[6]Hirth, J.P and Lothe, J., Theory of Dislocations (Krieger Publishing Company, Malabar, FL, 1992).Google Scholar
[7]Moon, W.J., Umeda, T., and Saka, H., Philosophical Magazine Letters 83, 233 (2003)Google Scholar
[8]McSkimin, H.J., Jayaraman, A., and Jr, P.A.., Journal of Applied Physics 38, 2362 (1967).Google Scholar
[9]Hirsch, P.B., J. Phys. (Orsay) 40, 27 (1979).Google Scholar
[10]Jones, R., Journal de Physique 40, 33.Google Scholar
[11]Bennetto, J., Nunes, R. W., and Vanderbilt, D., Physical Review Letters 79, 245 (1997).Google Scholar
[12]Lehto, N. and Öberg, S., Physical Review Letters 80, 5568 (1998).Google Scholar
[13]Bulatov, V. V., Scripta Materialia 45, 1247 (2001).Google Scholar
[14]Nunes, R. W., Bennetto, J., and Vanderbilt, D., Physical Review B 57, 10388 (1998)Google Scholar
[15]Nunes, R. W., Bennetto, J., and Vanderbilt, D., Physical Review Letters 77, 1516 (1996).Google Scholar
[16]Sitch, P., Jones, R., Öberg, S., and Heggie, M. I., Physical Review B 50, 17717 (1994).Google Scholar
[17]Jones, R., Philosophical Transactionss: Physical Sciences and Engineering 341, 157 (1992).Google Scholar
[18]Rao, S. I. and Woodward, C., Philosophical Magazine A 81, 1317 (2001).Google Scholar
[19]Pulci, O. et al., Physica Status Solidi A 175, 71 (1999).Google Scholar
[20]Beckman, S. P. and Chrzan, D., Work in Progress.Google Scholar
[21]Kress, G. and Fürthmuller, J., Physical Review B 54, 11169 (1996).Google Scholar
[22]Kress, G. and Fürthmuller, J., Computaqtional Material Science 6, 15 (1996).Google Scholar
[23]Kress, G. and Hafner, J., Journal of Physics: Condensed Matter 6, 8245 (1994).Google Scholar
[24]Beckman, S. P. et al., Journal of Physics: Condensed Matter 48, 12673 (2002).Google Scholar