Abstract The electrical transport properties of dense PrBaCoTaO6 and PrBaCoNbO6 polycrystalline phases are thoroughly studied. Both measured conductivity and thermopower temperature dependencies are consistent with p-type adiabatic small polaron hopping mechanism. Detailed analysis based on DFT calculations reveals Co t2g orbitals play crucial role in charge transfer process. The proposed theoretical transport model predicts most trivalent Co ions tend to acquire an intermediate spin state acting as self-trapped electron holes. Estimated carrier mobility and polaron jump frequency values for both studied compounds are found to be in a reasonable coincidence with previously obtained results.

中文翻译：

---

PrBaCoTa(Nb)O6 类钙钛矿相中的高温极化子输运

摘要 深入研究了致密 PrBaCoTaO6 和 PrBaCoNbO6 多晶相的电传输特性。测量的电导率和热电势温度依赖性都与 p 型绝热小极化子跳跃机制一致。基于 DFT 计算的详细分析表明 Co t2g 轨道在电荷转移过程中起着至关重要的作用。所提出的理论传输模型预测，大多数三价 Co 离子倾向于获得中间自旋态，充当自陷电子空穴。发现两种研究化合物的估计载流子迁移率和极化子跳跃频率值与先前获得的结果具有合理的一致性。