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Is there an elastic anomaly for a (001) monolayer of InAs embedded in GaAs?

Appl. Phys. Lett. 65, 165 (1994); doi:10.1063/1.112660

Issue Date: 11 July 1994

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James E. Bernard
Department of Physics, Colorado School of Mines, Golden, Colorado 80401

Alex Zunger
National Renewable Energy Laboratory, Golden, Colorado 80401
When a coherently grown (001)-oriented layer of InAs is embedded in a GaAs host, the coherency strain induces a perpendicular distortion of the embedded layer, predicted by continuum elasticity theory to be epsilon[perpendicular]=7.3%. Brandt, Ploog, Bierwolf, and Hohenstein, [Phys. Rev. Lett. 68, 1339 (1992)] have described a high-resolution electron microscopic analysis of such buried layers that appears to reveal a breakdown of continuum elasticity theory in the limit of monolayer films. In particular, they found for a single monolayer of InAs a lattice distortion that corresponds to epsilon[perpendicular]=12.5%. Here we report on an investigation into whether a first-principles local-density total energy minimization shows such an elastic anomaly in the monolayer limit. We find that it does not. Applied Physics Letters is copyrighted by The American Institute of Physics.
History: Received 20 December 1993; accepted 21 April 1994
Permalink: http://link.aip.org/link/?APPLAB/65/165/1
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KEYWORDS and PACS

Keywords
PACS
  • 62.20.Dc
    Mechanical and acoustical properties of condensed matter Mechanical properties of solids Elasticity, elastic constants
  • 68.35.Gy
    Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) Solid surfaces and solidsolid interfaces Mechanical and acoustical properties
  • 68.55.Jk
    Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) Thin film growth, structure, and epitaxy Structure and morphology; thickness
  • YEAR: 1994

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ISSN:
0003-6951 (print)   1077-3118 (online)
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REFERENCES (21)
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    2. A. Zunger and D. M. Wood, J. Cryst. Growth 98, 1 (1989).
  2. Physics of Group IV Elements and III-V Compounds, edited by O. Madelung, Landolt-Börnstein, New Series (Springer, Berlin, 1982), Group III, Vol. 17, Pt. A.
  3. O. Brandt, K. Ploog, R. Bierwolf, and M. Hohenstein, Phys. Rev. Lett. 68, 1339 (1992).
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  9. For consistency with Ref. 3, we calculate epsilon[perpendicular] from the theoretical c/a ratio of the unit cell, attributing all of the c-axis expansion to the InAs layer. With actual layer spacings, epsilon[perpendicular] increases by less than 0.5 percentage points locally at the interface, because of a slight expansion of InAs bonds there (accompanied by a similar contraction of GaAs bonds). This effect is seen generally at bulk semiconductor interfaces (Ref. 4).
  10. J. Massies and N. Grandjean, Phys. Rev. Lett. 71, 1411 (1993).
  11. J. Ihm, A. Zunger, and M. L. Cohen, J. Phys. C 12, 4409 (1979).
  12. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
  13. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
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  16. K. Shiraisni and E. Yamaguchi, Phys. Rev. B 42, 3064 (1990).
  17. Reference 3 cites results of Ref. 16 as evidence of theoretical support for an elastic anomaly in the monolayer limit. Specifically cited are the InAs bond lengths for the cubic zinc-blende structure (2.56 Å) and for 1 ML of InAs in GaAs (2.55 Å). However, Dr. Shiraishi has informed us that the quoted bond length for the embedded InAs layer was scaled by the ratio of the experimental zinc-blende GaAs bond length to their calculated zinc-blende GaAs bond length. Their calculated bond length for the embedded layer is 2.49 Å, corresponding to epsilon[perpendicular] = 4.6%.
  18. O. Brandt (unpublished).
  19. M. Hohenstein (unpublished).
  20. With the refined analysis, the sum of the individual spacings agrees well with the overall shift. Further, application of the method (Ref. 19) to simulated data containing the three excess In percentages we suggested, showed the two largest to be above the threshold of detectability.
  21. C. Giannini, L. Tapfer, S. Lagomarsino, J. C. Boulliard, A. Taccoen, B. Capelle, M. Ilg, O. Brandt, and K. H. Ploog, Phys. Rev. B 48, 11496 (1993).

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