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The electronic structure of interfaces between lattice-mismatched semiconductor is sensitive to the strain. We compare two approaches for calculating such inhomogeneous strain -- continuum elasticity (CE, treated as a finite difference problem) and atomistic elasticity (AE). While for small strain the two methods must agree, for the large strains that exist between lattice-mismatched III-V semiconductors (e.g. 7% for InAs/GaAs outside the linearity regime of CE) there are discrepancies. We compare the strain profile obtained by both approaches (including the approximation of the correct C_2 symmetry by the C_4 symmetry in the CE method), when applied to C_2-symmetric InAs pyramidal dots capped by GaAs.
In this study we numerically calculate the spatial profile of mechanical strain on self-assembled germanium (Ge) quantum dots (QDs) grown on a silicon (Si) substrate. Although the topic has been exhaustively studied, interesting features have not bee
We investigate the electronic structure of the InAs/InP quantum dots using an atomistic pseudopotential method and compare them to those of the InAs/GaAs QDs. We show that even though the InAs/InP and InAs/GaAs dots have the same dot material, their
Self-assembled quantum dots (QDs) are highly strained heterostructures. the lattice strain significantly modifies the electronic and optical properties of these devices. A universal behavior is observed in atomistic strain simulations (in terms of bo
A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good agreement is attained between the 3 systematically converged methods,
In this paper strain transfer efficiencies from single crystalline piezoelectric lead magnesium niobate-lead titanate (PMN-PT) substrate to a GaAs semiconductor membrane bonded on top are investigated using state-of-the-art x-ray diffraction (XRD) te