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Magnetic Properties of (ZnS)n (n=1-12) Cluster Due to B, C, N and O DopingBy Navjot Kaur, Kanchan L Singh, Hitesh Sharma
Abstract: First principal calculations have been performed using Spin polarized Density Functional Theory (DFT) to study the magnetic properties of B, N, C and O doped (ZnS)n (n = 1 to 12) nanoclusters. All dopants were doped at S site in (ZnS)n clusters. The binding energy of (ZnS)n clusters decrease when doped with B, C and N atoms where as it increases with O doping. The electronic HOMO-LUMO gap of (ZnS)n …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 16, Issue 3, 2014 · pp. 16–22 Read article →