Local stress/strain analysis in the vicinity of-assemlbfled nanostructure interface

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First-principles local stress calculation has been applied to reveal stress distribution in the vicinity of a self-assembled nanostructure interface such as GaAs/InAs. The weighted Bader integration scheme based on the Yu-Trinkle algorithm is found to be so effective that stress density is accurately integrated to the local stress. By applying the developed local stress calculation to semiconductor interfaces, it is found that interface stress is localized, in the range of a single atom, in the vicinity of the interface.