First-principles Study of the Atomic and Electronic Structure of Amorphous ZnO-SiO2

作者：Kang Il Joon^*; Woo Sun A; Park Chul Hong

来源：Journal of the Korean Physical Society, 2011, 58(3): 604-607.

DOI：10.3938/jkps.58.604

• ZnSiO3
• ZnO-SiO2
• Oxygen vacancy
• Electronic structure

Through first-principles calculations, we investigated the structural properties and the electronic structure of amorphous (ZnO)(x)(SiO2)(1-x). We examined the stability and the band gap of the alloy as a function of the composition ratio. We found that the band gap of the (ZnO)(SiO2)(1-x) composite was proportional its ZnO content. In the case of the 1:1 composition ratio x = 0.5, the atomic structure is well locally ordered, and the deep level is found to be generated by the 0 vacancy.

• 出版日期2011-3