1 Key Laboratory of Physics and Technology for Advanced Batteries, Ministry of Education and College of Physics, Jilin University, Changchun, 130012, People's Republic of China
2 State Key Laboratory of Superhard Materials and Department of Physics, Jilin University, Changchun 130023, People's Republic of China
3 Key Laboratory of Excited State Processes, Chinese Academy of Sciences, Changchun Institute of Optics Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033, People's Republic of China
Effects of magnesium on phosphorus chemical states and p-type conduction behavior of phosphorus-doped ZnO (ZnO:P) films were investigated by combining experiment with first-principles calculation. Photoluminescence (PL) spectra show that Mg incorporation increases the amount of VZn, which makes more PZn-2VZn complex acceptor formed and background electron density decreased, leading to that MgZnO:P exhibits better p-type conductivity than ZnO:P. The p-type conductivity mainly arises from PZn-2VZn complex acceptor with a shallow acceptor energy of 108 meV. X-ray photoelectron spectroscopy(XPS) spectra reveal that phosphorus has two chemical states of PZn-2VZn complex and isolated PZn, with binding energy of P2p3/2 of 132.81 and 133.87 eV, respectively. The conversion of isolated PZn to PZn-2VZn complex induced by Mg incorporation is observed in XPS, in agreement with the PL results. First-principles calculations suggest that the formation energy of nMgZn-VZn complex decreases with the increasing Mg content, well supporting the experiments from the PL spectra and XPS measurements.
Received 08 November 2012Accepted 28 December 2012Published online 17 January 2013
This work was supported by the National Natural Science Foundation of China under Grant Nos. 10874178, 11074093, 61205038 and 11274135, Natural Science Foundation of Jilin province under grant No. 201115013, and National Found for Fostering Talents of Basic Science under grant No. J1103202.
Article outline: I. INTRODUCTION II. EXPERIMENTAL III. RESULTS AND DISCUSSION IV. CONCLUSION