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The localized feature of electronic states is often related to some interesting electronic properties in graphite‐like materials. We use the first principles calculations to investigate two important localized states, that is, flat‐band states and border states, in zigzag AlN nanoribbons (zAlNNRs). Our results indicate that both localized states can exist in zAlNNRs and the border states have a close...
Under the generalized gradient approximation (GGA), the structural and electronic properties of conducting Cu8 nanowires encapsulated in semiconducting zigzag carbon nanotubes (CNT) have been investigated by using the first‐principles projector‐augmented wave (PAW) potential within the density function theory (DFT) framework. Among these three Cu8 wire‐encapsulated C cables, (11,0) and (13,0) nanocables...
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