2023/06/12 by Liang Si, Xiaochao Wang, Si, Liang +11
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Materials Science (cond-mat.mtrl-sci) #Strongly Correlated Electrons (cond-mat.str-el)
paper · pdf · doi:10.48550/arxiv.2306.07120
openalex publication_date 2023/06/12 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01
Oxygen vacancies in the perovskite insulator SrTiO3 free electrons that couple with other physical degrees of freedom such as lattice, orbital, and spin. This leads to the emergence of exotic quantum states such as superconductivity and unusual ferromagnetism. We perform density-functional theory and dynamical mean-field theory calculations and demonstrate that the orientation and ordering of the TiO5 pentahedra plays a crucial role. Specifically, for vacancy-rich SrTiO3-δ (δ∼0.5), we find a chiral ordering of the TiO5 pentahedra in a sixfold superlattice. This chiral structure is accompanied by a chiral magnetic state with a net moment in the (111) direction at room temperature, which can explain several experimental observations.