Taking the Mn404 cluster as a model system, the spin-polarized transport properties of the small cluster system were systematically probed. The theoretical inves- tigations are based on density-functional theory and non- equilibrium Green＇s functional method. The equilibrium transport mechanism is illustrated by the band structure of the electrode, the electronic structure of the Mn404 cluster and the coupling between the cluster and the electrodes. To well understand the non-equilibrium mechanisms, one straightforward and simple band-matching model was proposed. Moreover, such a band-matching model can be extended to well illustrate the transport properties of other nano-scale systems.
15%Ag-added cubic perovskites Sr0.9La0.1TiO3 and Ruddlesden-Popper （RP） phases Sr2.7La0.3Ti2O7 were fabricated via hydrothermal synthesis, cold pressing and high-temperature sintering. The structure and thermoelectric properties were also investi-gated for all samples. The results indicated that Ag precipitated as a second phase. Ag addition made electrical conductivity and ab-solute Seebeck coefficient enhanced, as a result, the ZT values were enhanced both for two series. Compared with cubic perovskite, RP phase was subjected to smaller impact by Ag addition. The reasons for enhancing ZT value and the different impact for two series by Ag addition were also discussed.
