Combining advanced growth and characterization techniques with state-of-the-art first-principles simulations in the frameworks of density functional theory and Boltzmann transport theory, recent advances in the field of transition metal oxide films and superlattices (SLs) as thermoelectric materials are discussed, with particular focus on a selection of quantum-scale approaches to tune their thermoelectric performance. Specifically, ${\text{PdCoO}}_2$PdCoO2${\text{PdCoO}}_2$ films grown on regular and miscut substrates have enabled experimental confirmation of the large predicted out-of-plane Seebeck coefficient of this anisotropic material and also reveal the necessity of a Hubbard-U parameter on the Co $3d$$3d$ states. Furthermore, oxygen diffusion and incorporation from the ${\text{SrTiO}}_3(001)$${\text{SrTiO}}_3(001)$ substrate lead to a significant enhancement of the high-temperature Seebeck coefficient in ${\text{LaNiO}}_3/{\text{LaAlO}}_3(001)$${\text{LaNiO}}_3/{\text{LaAlO}}_3(001)$ SLs. Next, it is shown how n- and p-type materials can be achieved either by exploiting interface polarity in a ${\text{LaNiO}}_3/{\text{SrTiO}}_3(001)$${\text{LaNiO}}_3/{\text{SrTiO}}_3(001)$ SL or using epitaxial strain to shift orbital-dependent transport resonances across the Fermi level in ${({\text{LaNiO}}_3)}_3/({\text{LaAlO}}_3{)}_1(001)$${({\text{LaNiO}}_3)}_3/({\text{LaAlO}}_3{)}_1(001)$ SLs. Moreover, confinement- and strain-induced metal-to-insulator transitions induce high Seebeck coefficients and power factors in short-period ${({\text{LaNiO}}_3)}_1/({\text{LaAlO}}_3{)}_1(001)$${({\text{LaNiO}}_3)}_1/({\text{LaAlO}}_3{)}_1(001)$ and ${(\text{Sr}X{\mathrm{O}}_3)}_1/({\text{SrTiO}}_3{)}_1(001)$${(\text{Sr}X{\mathrm{O}}_3)}_1/({\text{SrTiO}}_3{)}_1(001)$ SLs ($X=$$X=$ V, Cr, Mn). Finally, a relation between the topologically nontrivial Chern insulating behavior and enhanced thermoelectric response in ${(\text{EuO)}}_1/{(\text{MgO)}}_3(001)$${(\text{EuO)}}_1/{(\text{MgO)}}_3(001)$ SLs is established. The article concludes with a discussion of challenges and future topics of research in oxide thermoelectrics.

中文翻译：

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在量子尺度上调整过渡金属氧化物薄膜和超晶格的热电性能

在密度泛函理论和玻尔兹曼输运理论的框架内，将先进的生长和表征技术与最先进的第一性原理模拟相结合，讨论了过渡金属氧化物薄膜和超晶格 (SLs) 作为热电材料领域的最新进展，特别关注选择量子尺度方法来调整其热电性能。具体来说，${\text{钯钴}}_2$钯钴2${\text{PdCoO}}_2$在常规和错切基板上生长的薄膜能够通过实验证实这种各向异性材料的大预测面外塞贝克系数，并且还揭示了 Co 上 Hubbard- U参数的必要性$3d$$3d$状态。此外，氧的扩散和掺入${\text{氧化锶}}_3(001)$${\text{SrTiO}}_3(001)$衬底导致高温塞贝克系数显着提高${\text{氧化镍}}_3/{\text{镧铝氧}}_3(001)$${\text{LaNiO}}_3/{\text{LaAlO}}_3(001)$SL。接下来，展示了如何通过利用界面极性来实现 n 型和 p 型材料${\text{氧化镍}}_3/{\text{氧化锶}}_3(001)$${\text{LaNiO}}_3/{\text{SrTiO}}_3(001)$SL 或使用外延应变来转移轨道相关的传输共振穿过费米能级${({\text{氧化镍}}_3)}_3/({\text{镧铝氧}}_3{)}_1(001)$${({\text{LaNiO}}_3)}_3/({\text{LaAlO}}_3{)}_1(001)$SL。此外，约束和应变引起的金属到绝缘体转变会在短期内引起高塞贝克系数和功率因数${({\text{氧化镍}}_3)}_1/({\text{镧铝氧}}_3{)}_1(001)$${({\text{LaNiO}}_3)}_1/({\text{LaAlO}}_3{)}_1(001)$和${(\text{锶}X{\mathrm{○}}_3)}_1/({\text{氧化锶}}_3{)}_1(001)$${(\text{Sr}X{\mathrm{O}}_3)}_1/({\text{SrTiO}}_3{)}_1(001)$SL （$X=$$X=$钒、铬、锰）。最后，拓扑非平凡的陈绝缘行为与增强的热电响应之间的关系${(\text{欧)}}_1/{(\text{氧化镁）}}_3(001)$${(\text{EuO)}}_1/{(\text{MgO)}}_3(001)$SLs 成立。本文最后讨论了氧化物热电研究的挑战和未来主题。