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Multimillion-Atom Simulations of Atomic-Level Surface Stresses and Pressure Distribution on InAs/GaAs Mesas

Published online by Cambridge University Press:  10 February 2011

Xiaotao Su ,
Rajiv K. Kalia ,
Anupam Madhukar ,
Aiichiro Nakano  and
Priya Vashishta
Xiaotao Su
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Dept. of Physics & Astronomy, Dept. of Computer Science, Louisiana State University, Baton Rouge, LA 70803, [email protected]
Rajiv K. Kalia
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Dept. of Physics & Astronomy, Dept. of Computer Science, Louisiana State University, Baton Rouge, LA 70803, [email protected]
Anupam Madhukar
Affiliation:
Photonic Materials and Devices Laboratory, Dept. of Materials Science, University of Southern California, Los Angeles, CA 90089
Aiichiro Nakano
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Dept. of Physics & Astronomy, Dept. of Computer Science, Louisiana State University, Baton Rouge, LA 70803, [email protected]
Priya Vashishta
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Dept. of Physics & Astronomy, Dept. of Computer Science, Louisiana State University, Baton Rouge, LA 70803, [email protected]
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Abstract

Large-scale molecular dynamics simulations are performed to investigate the atomiclevel stresses on InAs/GaAs mesas. The simulations are based on an interatomic-potential scheme for InAs/GaAs systems which depends on the local chemical composition. Multiresolution techniques are used to speed up the simulations. InAs/GaAs square mesas with { 101 }-type sidewalls are studied. The atomic-level pressure distribution and surface atomic stresses on the sidewalls with 12, 10, 8 and 6 monolayers of InAs overlayers have been calculated.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 584 , 1999 , 269
Copyright
Copyright © Materials Research Society 2000

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References

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