Effect of anharmonicity of the strain energy on band offsets in semiconductor nanostructures

Author

• Olga L. Lazarenkova, Jet Propulsion Laboratory, California Institute of Technology
• Paul von Allmen, Jet Propulsion Laboratory, California Institute of Technology
• Fabiano Oyafuso, Jet Propulsion Laboratory, California Institute of Technology
• Seungwon Lee, Jet Propulsion Laboratory, California Institute of Technology
• Gerhard Klimeck, Jet Propulsion Laboratory, California Institute of Technology; Network for Computational Nanotechnology, Electrical and Computer Engineering, Purdue UniversityFollow

Abstract

Anharmonicity of the interatomic potential is taken into account for the quantitative simulation of the conduction and valence band offsets for strained semiconductor heterostructures. The anharmonicity leads to a weaker compressive hydrostatic strain than that obtained with the commonly used quasiharmonic approximation of the Keating model. Compared to experiment, inclusion of the anharmonicity in the simulation of strained InAs/GaAs nanostructures results in an improvement of the electron band offset computed on an atomistic level by up to 100 meV.

Citation

DOI: 10.1063/1.1814810

Date of this Version

September 2004

Recommended Citation

Lazarenkova, Olga L.; von Allmen, Paul; Oyafuso, Fabiano; Lee, Seungwon; and Klimeck, Gerhard, "Effect of anharmonicity of the strain energy on band offsets in semiconductor nanostructures" (2004). Birck and NCN Publications. Paper 199.
https://docs.lib.purdue.edu/nanopub/199