铁电层厚度对（BiCoO3）n/(La2/3Sr1/3MnO3)1超晶格磁电性质的影响

The effect of thickness of ferroelectric layer on magnetoelectric properties of （BiCoO3）n/(La2/3Sr1/3MnO3)1 superlattice

本文利用第一性原理,对由四方相BiCoO3(BCO)和La2/3Sr1/3MnO3(LSMO)所构造的超晶格的形成能、电子结构与磁电性质进行了系统研究.研究表明,超晶格中BCO层厚度变化可对超晶格的电子结构,及其极化位移与自旋极化率等磁电性质产生重要影响.特别的,在BiO/MnBO2为界面构型的超晶格中,当BCO侧为一个单胞层时,超晶格表现出半金属性,可获得100%自旋极化率.上述研究结果对于新型自旋电子器件研究具有一定科学意义.

In this paper,the cohesive energy,electronic structure and magnetoelectric properties of the superlattice consisting of the tetragonal La2/3Sr1/3MnO3(LSMO)and BiCoO3(BCO)was investigated systematically by means of first-principle calculations.Studies have shown that the thickness variation of the BCO layer in the superlattice can have an important influence on its electronic structure and its magnetoelectric properties such as polarization displacement and spin polarization.In particular,in the superlattice where BiO/Mn B O 2 is the interfacial configuration,when the BCO side has a single cell layer,the superlattice as a whole exhibits half-metallic character and obtained 100%spin polarizability.The research results have certain scientific significance for the research of new spinstronic devices.