The crystal structure, density of states and electronic structures of Te-N doped ZnO are investigated from the first-principles pseudo-potential approach based on density functional theory. It is found that the incorporation of N into ZnO induces contraction of lattice, while Te incorporation will cause expansion of lattice. Thus, the co-doping of both Te and N is conducible to the incorporation of N with minimum lattice strain. Besides, Te atoms is positively charged because the electronegativity of Te is smaller than that of O. Consequently, Te atom is expected to act as an isoelectronic donor in ZnO. Moreover, the acceptor level of N doped ZnO is narrow and deep. While in the Te-N doped ZnO system, N-impurity bandwidth at the top of valence band becomes larger, while tends to delocalize the hole. Meantime, the system obtains shallower acceptor levels and lighter mass of acceptors. The results suggest that the codoping of Te-N is an effective p-type doping method in ZnO.
The ZnO/Zn0.85Mg0.15O multiple quantum wells(MQWs)are fabricated on m-Al2O3 substrates by plasma-assisted molecular beam epitaxy (P-MBE) using a ZnMgO buffer layers. The reflection high-energy electron diffraction (RHEED) images indicate that the MQWs are of two-dimensional growth .The temperature dependent photoluminescence (PL) of the MQW also shows the quantum confine effect even at room temperature. The PL peak of 3nm MQW is 3.405 eV at 290 K.The PL spectrum in ZnO/Zn0.85Mg0.15O MQW is dominated by localized exciton emission at low temperatures, while the free exciton transition gradually dominates the spectrum at higher temperatures up to room temperature. The exciton binding energy in the 3 nm ZnO/Zn0.85Mg0.15O MQW is about 73 meV.
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