柔性显示器用InGaZnO薄膜的第一性原理研究

摘要

采用第一性原理研究方法对InGaZnO的电子结构、晶体结构、电学、光学等性质进行了计算.结果表明,与未掺杂的ZnO结构相比,掺杂In、Ga元素使得ZnO结构的费米能级进入导带,使其带隙宽度变窄、导电性增强,适合制备应用于柔性显示器上的透明导电薄膜.%In this paper,the first principles calculations are used to study the electronic structures,crystal structures,electrical properties and optical properties of InGaZnO.The results show that In or Ga dopants promote the Feimi energy level into the conduction band,narrow the band gap and enhance the electron conductivity comparing with pure ZnO.Therefore,these advantages of InGaZnO make it suitable as transparent conductive films for flexible displays.