We study the effects of strain and oxygen vacancy on the electronic structure of the (SrMmO₃)₂/(LaAlO₃)_2.5 heterostructure based on the first-principles calculations of density functional theory. The results show that different strains change the occupation of the e_g orbitals of Mn, which makes the system have different magnetic ground states and electronic properties. It is also found that the conductivity of the (SrMmO₃)₂/(LaAlO₃)_2.5 system increases with the increase of oxygen vacancies rate, which can be used for the new generation electronic devices.

中文翻译：

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应变和氧空位对(SrMnO3)2/(LaAlO3)2.5(001)异质结电子结构的影响

我们基于密度泛函理论的第一性原理计算，研究了应变和氧空位对 (SrMmO ₃ ) ₂ /(LaAlO ₃ ) _2.5异质结构电子结构的影响。结果表明，不同的应变改变了Mn的e _g轨道的占据，使系统具有不同的磁基态和电子性质。还发现(SrMmO ₃ ) ₂ /(LaAlO ₃ ) _2.5体系的电导率随着氧空位率的增加而增加，可用于新一代电子器件。