TY - JOUR
T1 - First-principles simulation and experimental evidence for improvement of transmittance in ZnO films
AU - Zhang, Dong Yan
AU - Wang, Pang Pang
AU - Murakami, Ri Ichi
AU - Song, Xiao Ping
N1 - Funding Information:
This study was supported by the Double Degree Program (DDP) of The University of Tokushima and by the Ministry of Education, Culture, Sports, Science & Technology (MEXT), Japan. The authors would like to thank Dr. Pankaj Koinkar of the University of Tokushima for English correction.
PY - 2011/2
Y1 - 2011/2
N2 - ZnO/Ag/Glass films were prepared by a DC magnetron sputtering system, which exhibit both excellent properties of high conductivity and high transparency. Moreover, an enhancement of transmission of ZnO films was observed after brought into contact to a silver layer, but the understanding of experimental findings for the enhancement of transmission was insufficient. Therefore, the first-principles simulations of electrical and optical properties were utilized using the density functional theory with local-density approximations or generalized-gradient approximations. The crystal structure of ZnO or Ag was imported from the Material Studio database. The periodic supercell has the same atomic ratio with the experimental structure and was optimized using the CASTEP package in Material Studio. According to the calculation results, the enhancement in transmission is attributed to the surface plasmon polariton in the asymmetric structure films.
AB - ZnO/Ag/Glass films were prepared by a DC magnetron sputtering system, which exhibit both excellent properties of high conductivity and high transparency. Moreover, an enhancement of transmission of ZnO films was observed after brought into contact to a silver layer, but the understanding of experimental findings for the enhancement of transmission was insufficient. Therefore, the first-principles simulations of electrical and optical properties were utilized using the density functional theory with local-density approximations or generalized-gradient approximations. The crystal structure of ZnO or Ag was imported from the Material Studio database. The periodic supercell has the same atomic ratio with the experimental structure and was optimized using the CASTEP package in Material Studio. According to the calculation results, the enhancement in transmission is attributed to the surface plasmon polariton in the asymmetric structure films.
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U2 - 10.1016/S1002-0071(12)60023-9
DO - 10.1016/S1002-0071(12)60023-9
M3 - Article
AN - SCOPUS:84861455795
SN - 1002-0071
VL - 21
SP - 40
EP - 45
JO - Progress in Natural Science: Materials International
JF - Progress in Natural Science: Materials International
IS - 1
ER -