Analysis and atomic simulation of electron structures and defects in ZnO nano-crystal for its optimal doping with Al
(2017)
Presentation / Conference Contribution
Mohammadnejad, S., & Rezaie, M. N. (2017, December). Analysis and atomic simulation of electron structures and defects in ZnO nano-crystal for its optimal doping with Al. Presented at 2017 IEEE 4th International Conference on Knowledge-Based Engineering and Innovation (KBEI), Tehran, Iran
Electrical and structural properties of zinc oxide (ZnO) unit cell and aluminum doped ZnO (AZO) super cell have been studied using density functional theory (DFT) and SIESTA package. According to the calculation of the formation energies for vacancy... Read More about Analysis and atomic simulation of electron structures and defects in ZnO nano-crystal for its optimal doping with Al.