We report on a theoretical discovery of a generic piezoelectric field in strained core-shell compound semiconductor nanowires. We show, using both an analytical model and numerical simulations based on fully electroelastically coupled continuum elasticity theory, that lattice-mismatch-induced strain in an epitaxial core-shell nanowire gives rise to an internal electric field along the axis of the nanowire. This piezoelectric field results predominantly from atomic layer displacements along the nanowire axis within both the core and shell materials and can appear in both zinc blende and wurtzite crystalline core-shell nanowires. The effect can be employed to separate photon-generated electron-hole pairs in the core-shell nanowires and thus offers a new device concept for solar energy conversion.

We compute strain distributions in core-shell nanowires of zinc blende structure. We use both continuum elasticity theory and an atomistic model, and consider both finite and infinite wires. The atomistic valence force-field (VFF) model has only few assumptions. But it is less computationally efficient than the finite-element (FEM) continuum elasticity model. The generic properties of the strain distributions in core-shell nanowires obtained based on the two models agree well. This agreement indicates that although the calculations based on the VFF model are computationally feasible in many cases, the continuum elasticity theory suffices to describe the strain distributions in large core-shell nanowire structures. We find that the obtained strain distributions for infinite wires are excellent approximations to the strain distributions in finite wires, except in the regions close to the ends. Thus, our most computationally efficient model, the finite-element continuum elasticity model developed for infinite wires, is sufficient, unless edge effects are important. We give a comprehensive discussion of strain profiles. We find that the hydrostatic strain in the core is dominated by the axial strain-component, εZZ . We also find that although the individual strain components have a complex structure, the hydrostatic strain shows a much simpler structure. All inplane strain components are of similar magnitude. The non-planar off-diagonal strain-components (εXZ and εY Z ) are small but nonvanishing. Thus the material is not only stretched and compressed but also warped. The models used can be extended for study of wurtzite nanowire structures, as well as nanowires with multiple shells.

The elastic and piezoelectric properties of zincblende and wurtzite crystalline InAs/InP nanowire heterostructures have been studied using electro-elastically coupled continuum elasticity theory. A comprehensive comparison of strains, piezoelectric potentials and piezoelectric fields in the two crystal types of nanowire heterostructures is presented. For each crystal type, three different forms of heterostructures-core-shell, axial superlattice, and quantum dot nanowire heterostructures-are considered. In the studied nanowire heterostructures, the principal strains are found to be insensitive to the change in the crystal structure. However, the shear strains in the zincblende and wurtzite nanowire heterostructures can be very different. All the studied nanowire heterostructures are found to exhibit a piezoelectric field along the nanowire axis. The piezoelectric field is in general much stronger in a wurtzite nanowire heterostructure than in its corresponding zincblende heterostructure. Our results are expected to be particularly important for analyzing and understanding the properties of epitaxially grown nanowire heterostructures and for applications in nanowire electronics, optoelectronics, and biochemical sensing.

Strain-induced quantum dots (SIQD) confine electrons and holes to a lateral potential minimum within a near-surface quantum well (QW). The potential minimum is located in the QW below a nanometre-sized stressor crystal grown on top of the QW. SIQD exhibit well-resolved and prominently atomic-like optical spectra, making them ideal for experimental and theoretical studies of mesoscopic phenomena in semiconductor nanocrystals.In this report we review the theory of strain-induced confinement, electronic structure, photonics and carrier relaxation dynamics in SIQD. The theoretical results are compared with available experimental data. Electronic structure calculations are mainly performed using the multiband envelope function approach. Many-body effects are discussed using a direct diagonalization method, albeit, for the sake of computational feasibility, within a two-band model.The QD carrier dynamics are discussed in terms of a master equation model, which accounts for the details of the electronic structure as well as the leading photon, phonon and Coulomb interaction processes. We also discuss the quantum confined Stark effect, the Zeeman splitting and the formation of Landau levels in external fields. Finally, we review a recent theory of the cooling of radiative QD excitons by THz radiation. In particular we discuss the resonance charge transfer of holes between piezoelectric trap states and the deformation potential minima. The agreement between the theory and experiment is fair throughout, but calls for further investigations.

We present a study of Young’s modulus of epitaxially grown InAs nanowires with diameters from 40 to 95 nm. The dynamic behavior of the nanowires is investigated using optical stroboscopic imaging. The Young’s modulus, evaluated using the eigenfrequencies of the fundamental and the first excited modes in air, decreases for smaller diameters. To avoid the influence of the electric field on the resonance frequency, we use the free ring-down response to a voltage step rather than driving with a harmonic voltage.