Journal
APPLIED PHYSICS LETTERS
Volume 85, Issue 18, Pages 4193-4195Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1814810
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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. (C) 2004 American Institute of Physics.
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