Electronic structures and optical properties ofIII_A-doped wurtzite Mg_0.25Zn_0.75O

Abstract

The energy band structures, density of states, and optical properties of III A -doped wurtzite Mg 0.25 Zn 0.75 O (III A = Al, Ga, In) are investigated by a first-principles method based on the density functional theory. The calculated results show that the optical bandgaps of Mg 0.25 Zn 0.75 O:III A are larger than those of Mg 0.25 Zn 0.75 O because of the Burstein-Moss effect and the bandgap renormalization effect. The electron effective mass values of Mg 0.25 Zn 0.75 O:III A are heavier than those of Mg 0.25 Zn 0.75 O, which is in agreement with the previous experimental result. The formation energies of MgZnO:Al and MgZnO:Ga are smaller than that of MgZnO:In, while their optical bandgaps are larger, so MgZnO:Al and MgZnO:Ga are suitable to be fabricated and used as transparent conductive oxide films in the ultra-violet (UV) and deep UV optoelectronic devices.

Temperature dependence of the photoluminescence of MnS/ZnS core—shell quantum dots

“…Zinc sulfide (ZnS) is an important wide band gap (E g = 3.6 eV) semiconductor, which has been widely used in ultraviolet-light-emitting diodes, electroluminescencent devices, flat-panel displays, sensors, and injection lasers. [1][2][3][4][5] Transition-metal Mn 2+ ion-doped ZnS (ZnS:Mn) attracts a great deal of attention, for Mn 2+ doping can not only enhance its optical transition efficiency, but also induce interesting magneto-optical properties. [6][7][8] Nanoscale ZnS:Mn material has been the current focus of research; the synthesis method and the properties of the material have been reported.…”