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Simulation of GaAs Nanowire Growth and Crystal Structure
摘要： Growing GaAs nanowires with well defined crystal structures is a challenging task, but may be required for the fabrication of future devices. In terms of crystal phase selection, the connection between theory and experiment is limited, leaving experimentalists with a trial and error approach to achieve the desired crystal structures. In this work, we present a modelling approach designed to provide the missing connection, combining classical nucleation theory, stochastic simulation and mass transport through the seed particle. The main input parameters for the model are the flows of the growth species and the temperature of the process, giving the simulations the same flexibility as experimental growth. The output of the model can also be directly compared to experimental observables, such as crystal structure of each bilayer throughout the length of the nanowire and the composition of the seed particle. The model thus enables for observed experimental trends to be directly explored theoretically. Here, we use the model to simulate nanowire growth with varying As flows, and our results match experimental trends with good agreement. By analysing the data from our simulation, we find theoretical explanations for these experimental results, providing new insights into how the crystal structure is affected by the experimental parameters available for growth.
关键词： Wurtzite,Zinc Blende,GaAs,Nanowire,Simulation
更新于2025-09-23 15:23:52
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General condition for realizing a collinear spin-orbit effective magnetic field in two-dimensional electron systems and its application to zinc-blende and wurtzite quantum wells
摘要： In this paper, we have studied two-dimensional (2D) electron systems described by the effective Hamiltonians containing spin-orbit coupling (SOC) terms up to an arbitrary odd order in wave vector k. The general condition for realizing a SOC-induced effective magnetic field (SOF) in such systems, formulated only in terms of the SOC parameters, is derived. When this condition is satisfied, the projection of the electron spin on the direction of the collinear SOF is a conserved quantity. The complete set of the k-linear and k-cubic Dresselhaus SOC contributions to the effective 2D Hamiltonian of an arbitrarily oriented zinc-blende quantum well is computed by a proper averaging of the corresponding tight-binding bulk SOC Hamiltonian. We investigate possibilities for realization of the collinear SOF in zinc-blende quantum wells of different orientation and obtain some interesting findings, which supplement the results of earlier works. Application of the developed formalism to wurtzite semiconductor 2D systems shows that the collinear SOF can be also realized in a wide class of such quantum wells.
关键词： effective magnetic field,spin-orbit coupling,quantum wells,wurtzite,zinc-blende
更新于2025-09-23 15:23:52
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Concurrent Zinc-Blende and Wurtzite Film Formation by Selection of Confined Growth Planes
摘要： Recent research on nanowires (NWs) demonstrated the ability of III-V semiconductors to adopt a different crystallographic phase when they are grown as nanostructures, giving rise to a novel class of materials with unique properties. Controlling the crystal structure however remains difficult and the geometrical constraints of NWs cause integration challenges for advanced devices. Here, we report for the first time on the phase-controlled growth of micron-sized planar InP films by selecting confined growth planes during template-assisted selective epitaxy. We demonstrate this by varying the orientation of predefined templates, which results in concurrent formation of zinc-blende (ZB) and wurtzite (WZ) material exhibiting phase purities of 100% and 97%, respectively. Optical characterization revealed a 70 meV higher band gap and a 2.5x lower lifetime for WZ InP in comparison to its natural ZB phase. Further, a model for the transition of the crystal structure is presented based on the observed growth facets and the bonding configuration of InP surfaces.
关键词： template-assisted selective epitaxy,zinc-blende,crystal structure,indium phosphide,wurtzite
更新于2025-09-10 09:29:36
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Number series of atoms, interatomic bonds and interface bonds defining zinc-blende nanocrystals as function of size, shape and surface orientation: Analytic tools to interpret solid state spectroscopy data
摘要： Semiconductor nanocrystals (NCs) experience stress and charge transfer by embedding materials or ligands and impurity atoms. In return, the environment of NCs experiences a NC stress response which may lead to matrix deformation and propagated strain. Up to now, there is no universal gauge to evaluate the stress impact on NCs and their response as a function of NC size dNC. I deduce geometrical number series as analytical tools to obtain the number of NC atoms NNC(dNC[i]), bonds between NC atoms Nbnd(dNC[i]) and interface bonds NIF(dNC[i]) for seven high symmetry zinc-blende (zb) NCs with low-index faceting: {001} cubes, {111} octahedra, {110} dodecahedra, {001}-{111} pyramids, {111} tetrahedra, {111}-{001} quatrodecahedra and {001}-{111} quadrodecahedra. The fundamental insights into NC structures revealed here allow for major advancements in data interpretation and understanding of zb- and diamond-lattice based nanomaterials. The analytical number series can serve as a standard procedure for stress evaluation in solid state spectroscopy due to their deterministic nature, easy use and general applicability over a wide range of spectroscopy methods as well as NC sizes, forms and materials.
关键词： solid state spectroscopy,analytical number series,semiconductor nanocrystals,zinc-blende nanocrystals,stress evaluation
更新于2025-09-04 15:30:14