Crystal Growth and Atom Diffusion in (Cu)ZnTe/CdTe via Molecular Dynamics
IEEE Journal of Photovoltaics(2018)
摘要
Molecular dynamics (MD) simulations and experimental evaporation were applied to study the growth of evaporated (Cu)ZnTe on mono- and polycrystalline CdTe. The simulated structures show polytypism and polycrystallinity, including texturing and grain boundaries, diffusion, and other phenomena in excellent qualitative agreement with experimental atomic probe tomography, transmission electron microsc...
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关键词
II-VI semiconductor materials,Cadmium compounds,Atomic layer deposition,Substrates,Loading,Computational modeling,Grain boundaries
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