Effects of magnesium on phosphorus chemical states and p-type conduction behavior of phosphorus-doped ZnO films.
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 V(Zn), which makes more P(Zn)-2V(Zn) 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 P(Zn)-2V(Zn) complex acceptor with a shallow acceptor energy of 108 meV. X-ray photoelectron spectroscopy (XPS) spectra reveal that phosphorus has two chemical states of P(Zn)-2V(Zn) complex and isolated P(Zn), with binding energy of P(2p3∕2) of 132.81 and 133.87 eV, respectively. The conversion of isolated P(Zn) to P(Zn)-2V(Zn) complex induced by Mg incorporation is observed in XPS, in agreement with the PL results. First-principles calculations suggest that the formation energy of nMg(Zn)-V(Zn) complex decreases with the increasing Mg content, well supporting the experiments from the PL spectra and XPS measurements.
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.
Jichao
J
Li
Yongfeng
Y
Li
Bin
B
Yao
Ying
Y
Xu
Shiwang
S
Long
Lei
L
Liu
Zhenzhong
Z
Zhang
Ligong
L
Zhang
Haifeng
H
Zhao
Dezhen
D
Shen
D004553:Electric Conductivity; D008274:Magnesium / Q000737:chemistry*; D010758:Phosphorus / Q000737:chemistry*; D013053:Spectrophotometry; D014965:X-Rays; D015034:Zinc Oxide / Q000737:chemistry*
D010758:Phosphorus; D008274:Magnesium; D015034:Zinc Oxide