Million-atom molecular dynamics simulation of flat InAs overlayers with self-limiting thickness on GaAs square nanomesas

Su, Xiaotao; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Madhukar, Anupam
June 2001
Applied Physics Letters;6/4/2001, Vol. 78 Issue 23, p3717
Academic Journal
Large-scale molecular dynamics simulations are performed to investigate the mechanical stresses in InAs/GaAs nanomesas with {101}-type sidewalls. The in-plane lattice constant of InAs layers parallel to the InAs/GaAs(001) interface starts to exceed the InAs bulk value at the twelfth monolayer (ML) and the hydrostatic stresses in InAs layers become tensile above ∼12 ML. As a result, it is not favorable to have InAs overlayers thicker than 12 ML. This may explain the experimental findings of the growth of flat InAs overlayers with self-limiting thickness of ∼11 ML on GaAs nanomesas. © 2001 American Institute of Physics.


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