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• W3142375178 endingPage "413023" @default.
• W3142375178 startingPage "413023" @default.
• W3142375178 abstract "The photoelectric properties of Mg/Al doped ZnO are investigated using the first-principles study. The lattice parameters of Zn31-xAlxMgO clearly increased. The calculations are carried out by the constant Mg doping ratio as 3.13% and different concentrations of Al with 0, 3.13%, 6.25%, 9.38% and 12.5%. The corresponding bandgaps are 3.492, 2.994, 2.448, 2.102, 1.988 eV, respectively. It is revealed that the Fermi level shifts upward when the Al concentration exceeds 6.25%. Therefore, Zn27Al4MgO is beneficial to obtain n-type ZnO with a higher electron concentration than others. Meanwhile, compared with pure ZnO, the imaginary parts of complex dielectric function, absorption, reflectivity and energy loss function of Zn31-xAlxMgO (x > 0) exhibit clear red-shifts." @default.
• W3142375178 created "2021-04-13" @default.
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• W3142375178 date "2021-07-01" @default.
• W3142375178 modified "2023-09-28" @default.
• W3142375178 title "A first-principles study on electronic and optical properties for Zn31-xAlxMgO" @default.
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• W3142375178 doi "https://doi.org/10.1016/j.physb.2021.413023" @default.
• W3142375178 hasPublicationYear "2021" @default.
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