First-principle investigation on multiferroicity and interfacial coupling of nonstoichiometric tetragonal La2/3Sr1/3MnO3/BiCoO3 interface

Abstract The energetically stable tetragonal nonstoichiometric La 2/3 Sr 1/3 MnO 3 /BiCoO 3 (LSMO/BCO) interface, whose chemical formula is (BiO) 3 (CoO 2 ) 4 /(LaO) 3 (SrO) 1 (MnO 2 ) 3 , was investigated by using first-principle calculations. A magnetoelectric coupling effect, i.e. , an electric control of the magnetism, was approved by a maximum variation of 17.9% in magnetic moments tuned by the electric polarization reversal. The interfacial coupling was controlled by the polar shifts of the interfacial Co and/or O atoms. A huge variation in spin-polarization from 6.3% to 72.7% was achieved upon switching the electric polarization. These findings are useful for magnetoelectric coupled spintronic device applications.