Abstract
The (LaV3+O3)m/SrV4+O3 (m = 5, 6) superlattices are investigated by first principles calculations. While bulk LaVO3 is a C‐type antiferromagnetic semiconductor and bulk SrVO3 is a paramagnetic metal, semiconducting A‐type antiferromagnetic states for both superlattices are found due to epitaxial strain. At the interfaces, however, the V spins couple antiferromagnetically for m = 5 and ferromagnetically for m = 6 (m‐dependence of the magnetization). Electronic reconstruction in form of charge ordering is predicted to occur with V3+ and V4+ states arranged in a checkerboard pattern on both sides of the SrO layer. As compared to bulk LaVO3, the presence of V4+ ions introduces in‐gap states that strongly reduce the bandgap and influence the orbital occupation and ordering.
The electronic reconstruction in the (LaVO3)m/SrVO3 (m = 5, 6) superlattices with odd and even thicknesses of the LaVO3 region is studied by means of first principles calculations. The odd‐even magnetization behavior found previously in experiments is explained and a checkerboard pattern of V3+ and V4+ states is identified in the interfacial VO2 layers.