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We performed first-principles calculations to study the energetics, geometric and electronic properties of zinc sulfide (ZnS) nanostructures. ZnS nanowires (ZnSNWs), nanotubes (ZnSNTs) and nanosheets (ZnSNSs) were considered. Both ZnSNWs and ZnSNTs modeled using hexagonal prisms with the atomic arrangement displaying the characters of wurtzite crystal are more stable than the single-walled ZnS nanotubes presented in previous literature. The energy evolution of ZnSNWs and ZnSNTs as a function of tube diameter and wall thickness was calculated and explained using a simple model. The comparison between the energetics and electronic structures of these ZnS nanostructures was also addressed.

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The first‐principles full potential linearized augmented plane‐wave method within density‐functional theory is used to investigate electronic structure and magnetism of wurtzite (WZ) crystal structure SrC. It is shown that the WZ SrC is a true half‐metallic ferromagnet with a magnetic moment of 2μB per formula unit. The large HM gaps (0.72 eV) and robustness of half‐metallicity with respect to the lattice change make it possible candidate grown epitaxially on appropriate substrates in the form of films thick enough, and therefore should be useful in spintronics and other related applications. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)