论文标题
无定形铜碘化物的电子结构：P型透明半导体
Electronic Structure of Amorphous Copper Iodide: A p-type Transparent Semiconductor
论文作者
论文摘要
P型透明无定形半导体CUI的原子和电子结构是通过AB-Initio分子动力学计算的。发现它由一个随机的四面体粘结网络组成。孔有效质量的质量很低，如晶体中。价带最大值（VBM）状态具有混合的I（p）-cu（t2g）-i（p）特征，其能量对疾病的能量相对不敏感。碘过量会产生将费米水平移动到价带的孔，但它不会将费米水平固定在VBM移动性边缘上方。因此，如果p掺杂，费米水平可以轻松进入价带，类似于氧化物In-Z-Zn氧化物半导体中电子的行为，但与A-SI：H中的电子相反。这表明无定形CUI可以使P型透明半导体成为有效的P型。
The atomic and electronic structure of the p-type transparent amorphous semiconductor CuI is calculated by ab-initio molecular dynamics. It is found to consist of a random tetrahedrally bonded network. The hole effective mass is found to be quite low, as in the crystal. The valence band maximum (VBM) state has a mixed I(p)-Cu(t2g)-I(p) character, and its energy is relatively insensitive to disorder. An iodine excess creates holes that move the Fermi level into the valence band, but it does not pin the Fermi level above the VBM mobility edge. Thus the Fermi level can easily enter the valence band if p-doped, similar to the behavior of electrons in In-Ga-Zn oxide semiconductors but opposite to that of electrons in a-Si:H. This suggests that amorphous CuI could make an effective p-type transparent semiconductor.
