Abstract
AbstractThe Sr doped (Ca1−xSrx)12Al14O33[(C1‐xSx)12A7] (x = 0, 0.01, 0.02, 0.03, 0.04, 0.05) polycrystals were successfully prepared by the melt‐solidification combining spark plasma sintering (SPS) process. The electrides were obtained by thermal treatment with Ti particles at 1100 °C for 20h. The electrical properties and electronic structure were systematically studied. The free oxygen ions of Sr doped samples were easier substituted by electrons. (Ca0.96Sr0.04)12Al14O33:e‐ sample possesses the highest electrical conductivity at room temperature (RT) (∼1136S/cm) and electron concentration [∼(2.13±0.11) × 1021cm−3] was obtained, which was above one magnitude higher than that of nondoped sample. The calculated electronic structure showed that Sr‐doping increased the density of state near the Fermi level of (C0.96S0.04)12A7:e‐. The level of frame conduction band (FCB) decreased compared to Ca12Al14O33:e‐.The large density of state of (C0.96S0.04)12A7:e‐ was mainly contributed by Sr 4p,5s, Ca 3d,4s and Al 3p.
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