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Sponsored by the Center for Science and Technology Development of the Ministry of Education
Supervised by Ministry of Education of the People's Republic of China
The electornic structures of tunnel barrier material, Spinel MgAl2O4 were calculated by the first-principles calculations based on the density functional theory. The results show that MgAl2O4 and MgO have the similar electronic structures.The valence bands are separated with the conduction band by a direct energy gap of 5.3 eV for MgAl2O4 and 4.7 eV for MgO at the Γ-point. Therefore, the spinel MgAl2O4 can substitute MgO and lead to high coherent tunneling and chemically stable epitaxial magnetic tunnel junction structures, which will be applied in the future read hand and other spintronic devices. In addition, due to the cation vacancy, the weak ferromagnetic spinel MgAl2O4 will bring new physical phenomenon in spintronics.