Polycrystalline samples of Gd₂Ru_2-xMo_xO₇ were prepared by the molten salt method. Rietveld refinement showed that a lattice parameter increases as the Mo content increases. Bond-valence sum model analysis (BVS) shows high stability in the structure. An increase in XPS valence band (VB) intensity at zero eV is observed as the Mo content increases. Theoretical calculations within the local density approximation, considering Hubbard U, reveal that the Gd₂Ru₂O₇ compound is a semiconductor with activation energy (E_a) of 0.089 eV. DOS analysis shows that the main contributions are the Ru4d and O 2p states. Good correspondence is observed between the VB measure and the DOS calculated. Electrical resistivity measurements at low temperatures show that the Gd₂Ru₂O₇ compound is a semiconductor with an E_a of 0.098 eV and decreases with Mo content. We suggest two conduction mechanisms; ionic conduction occurs via oxygen vacancy or interstitial migration and electronic conduction via variable-range hopping.

Gd ₂ Ru _2-x Mo _x O ₇多晶样品通过熔盐法制备。Rietveld修正显示，一个晶格参数随Mo含量的增加。键价总和模型分析 (BVS) 显示结构具有高稳定性。随着 Mo 含量的增加，观察到在零 eV 时 XPS 价带 (VB) 强度的增加。考虑到 Hubbard U，局部密度近似内的理论计算表明 Gd ₂ Ru ₂ O ₇化合物是一种具有活化能 (E _a) 的 0.089 eV。DOS 分析表明，主要贡献是 Ru4d 和 O 2p 状态。在 VB 测量和 DOS 计算之间观察到良好的对应关系。低温下的电阻率测量表明，Gd ₂ Ru ₂ O ₇化合物是一种半导体，其 E _a为 0.098 eV，并随着 Mo 含量的增加而降低。我们建议两种传导机制；离子传导通过氧空位或间隙迁移发生，电子传导通过可变范围跳跃发生。