Bandgap tuning in ZnxCd1−xTe superlattices through variable atomic ordering
V. Barone,
R. J. Ellingson,
S. V. Khare
Abstract:We explore the entire search space of 32-layer ZnxCd1−xTe superlattices to find the structures that minimize and maximize the bandgap at each possible zinc concentration. The searching is accomplished through an accurate and efficient combination of valence force field dynamics, the empirical pseudopotential method, and the folded spectrum method. We also describe the use of an alternate preconditioner that improves the robustness and efficiency of the locally optimal preconditioned conjugate gradient’s soluti… Show more
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