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

• Published in: Current applied physics 2019, 19(11), , pp.1156-1163
• Main Authors: Zhang, Wei, Zhang, Ming, Guo, Gencai, Ming, Bangming, Lin, Shenye, Cui, Yanlei, Wang, Ruzhi
• Format: Article
• Language: English
• Subjects: Electronic structure; First-principle; Interface; Multiferroic; Spintronic; 물리학
• ISSN: 1567-1739; 1878-1675
• DOI: 10.1016/j.cap.2019.07.011

The energetically stable tetragonal nonstoichiometric La2/3Sr1/3MnO3/BiCoO3 (LSMO/BCO) interface, whose chemical formula is (BiO)3(CoO2)4/(LaO)3(SrO)1(MnO2)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. •Nonstoichiometric tetragonal La2/3Sr1/3MnO3/BiCoO3 multiferroic interface was studied from first principles.•The most stable interface was screened by cohesive energy calculations.•The atomic geometry of interface can be modified by interfacial coupling.•The magnetoelectric coupling and electric control magnetism were achieved.•A huge spin-polarization variation was realized by electric polarization reversal.