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Current-voltage (I-V) characteristics of different ZnO nanostructures were studied using a combined nonequilibrium Green’s function and density functional theory techniques with the two-probe model. It was found that I-V characteristics of ZnO nanostructures depend strongly on their geometry. For wurtzite ZnO nanowires, currents decrease with increasing lengths under the same applied voltage conditions. The I-V characteristics are similar for single-walled ZnO nanotubes and triangular cross section ZnO nanowires but they are different from I-V characteristics of hexagonal cross section ZnO nanowires. Finally, our results are discussed in the context of calculated transmission spectra and densities of states. [ABSTRACT FROM AUTHOR]

First principles molecular dynamics simulations are used to determine the relative stability of wurtzite, graphitic, and rocksalt phases of the CdS nanostructure at various temperatures. Our results indicate that in the temperature range from 300 to 450 K, the phase stability sequence for the CdS nanostructure is rocksalt, wurtzite, and graphitic phases. The same situation holds for bulk CdS crystals under high pressure and 0 K. Our work also demonstrates that although the temperature can affect the total energy of the CdS nanostructure, it cannot change its phase stability sequence in the temperature range studied in this letter. [ABSTRACT FROM AUTHOR]