Electronic structure and physical properties of hybrid heterostructures Sr2CrOsO6/BaTiO3
V. N. Antonov and L. V. Bekenov
G. V. Kurdyumov Institute for Metal Physics of the National Academy of Sciences of Ukraine, Kyiv 03142, Ukraine
Received January 13, 2021, published online May 26, 2021
We report on the electronic structure and magnetic properties of hybrid heterostructures combined the ferromagnetic double perovskite Sr2CrOsO6 (SCOsO) and ferroelectric BaTiO3 (BTO) calculated in the GGA approach using the fully relativistic spin-polarized Dirac LMTO method. The electronic band structure is studied in the BTO and SCOsO oxides as well as in SCOsO/BTO heterostructures with different supercells: (1×1×1) monolayered, (2×2×1), and (1×1×2) SCOsO/BTO heterostructures. The optical and magneto-optical spectra of pure BTO and SCOsO oxides as well as of the SCOsO/BTO heterostructures are investigated theoretically and compared with avaliable experimental data. The element-specific x-ray absorption spectra as well as the x-ray magnetic circular dichroism at the Ti, Ba, and Os L2, 3 edges in SCOsO/BTO heterostructures are investigated theoretically. Good agreement with experimental spectra has been found.
Key words: electronic structure, magnetic moment, x-ray magnetic circular dichroism, dielectric function, Kerr rotation, heterostructures, multiferroics.