2014/01/31 by Frank Lechermann, Lewin Boehnke, Daniel Grieger +1 · 36 citations
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Condensed matter physics #Density functional theory #Electron #Electronic and Structural Properties of Oxides #Electronic correlation #Ferromagnetism #Magnetic and transport properties of perovskites and related materials #Magnetism #Physics #Quantum mechanics #cond-mat.mtrl-sci #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.90.085125
published in Physical Review B 90(8) (American Physical Society) · refinements, final version
openalex publication_date 2014/08/19 · arxiv created 2014/08/26 · arxiv updated 2014/08/27 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We shed light on the interplay between structure and many-body effects relevant for itinerant ferromagnetism in LaAlO3/SrTiO3 heterostructures. The realistic correlated electronic structure is studied by means of the (spin-polarized) charge self-consistent combination of density-functional theory with dynamical mean-field theory beyond the realm of static correlation effects. Though many-body behavior is also active in the defect-free interface, a ferromagnetic instability occurs only with oxygen vacancies. A minimal Ti two-orbital eg\ensuremath-t2g description for the correlated subspace is derived. Magnetic order affected by quantum fluctuations builds up from effective double exchange between modified nearly localized eg and mobile xy electrons.