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Alumina-rich spinel (MgO·nAl2O3, n≥1) was described as a solid solution of MgAl2O4 and Al8/3O4 (γ-Al2O3) with formula of Mg1–xAl2(1+x/3)O4 (0≤x≤1). Five redefined supercell models of MgO·nAl2O3 were constructed to investigate the composition-dependence of structural, electronic, optical and mechanical properties. The first-principles calculations were developed with high accuracy to evaluate the lattice...
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