First-principles simulation and experimental evidence for improvement of transmittance in ZnO films

作     者：Ri-ichi MURAKAMI 

作者机构：Department of Mechanical EngineeringThe University of Tokushima2-1 Minamijosanjima-choTokushima 770-8506Japan 

出 版 物：《Progress in Natural Science:Materials International》 (自然科学进展·国际材料(英文))

年 卷 期：2011年第21卷第1期

页      面：40-45页

核心收录：

学科分类：08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

基　　金：supported by the Double Degree Program(DDP) of The University of Tokushima and by the Ministry of Education Culture Sports Science & Technology(MEXT) Japan 

主　　题：first-principles transparent conductive oxide ZnO transmittance surface plasmon polaritons 

摘      要：ZnO/Ag/Glass films were prepared by a DC magnetron sputtering system,which exhibit both excellent properties of high conductivity and high ***,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 ***,the first-principles simulations of electrical and optical properties were utilized using the density functional theory with local-density approximations or generalized-gradient *** crystal structure of ZnO or Ag was imported from the Material Studio *** periodic supercell has the same atomic ratio with the experimental structure and was optimized using the CASTEP package in Material *** to the calculation results,the enhancement in transmission is attributed to the surface plasmon polariton in the asymmetric structure films.