I. Institut für Theoretische Physik, Universität Hamburg, D-20355, Hamburg, Germany.
Institut für Keramische Hochleistungswerkstoffe, Technische Universität Hamburg-Harburg, D-21073, Hamburg, Germany.
Sci Rep. 2017 May 8;7(1):1565. doi: 10.1038/s41598-017-01847-5.
The Mott-insulating distorted perovskite SmTiO, doped with a single SrO layer in a quantum-well architecture is studied by the combination of density functional theory with dynamical mean-field theory. A rich correlated electronic structure in line with recent experimental investigations is revealed by the given realistic many-body approach to a large-unit-cell oxide heterostructure. Coexistence of conducting and Mott-insulating TiO layers prone to magnetic order gives rise to multi-orbital electronic transport beyond standard Fermi-liquid theory. First hints towards a pseudogap opening due to electron-electron scattering within a background of ferromagnetic and antiferromagnetic fluctuations are detected.
采用密度泛函理论与动态平均场理论相结合的方法，研究了量子阱结构中掺杂单层 SrO 的扭曲钙钛矿 SmTiO 多晶型体的 Mott 绝缘特性。通过对大型单元氧化物异质结构的实际多体方法的研究，揭示了与近期实验研究相符的丰富关联电子结构。导电和 Mott 绝缘 TiO 层的共存，易产生磁有序，从而导致超出标准费米液体理论的多轨道电子输运。在铁磁和反铁磁涨落的背景下，由于电子-电子散射，检测到了由于赝能隙打开的初步迹象。
