In掺杂ZnO超晶格光学性质的研究

摘要

采用基于第一性原理的线性缀加平面波方法,计算了超晶格ZnO掺In的光学性质.计算结果表明,掺入In元素后Fermi能级进入导带,介电函数、吸收系数、折射率、反射率都在Fermi面附近产生新的跃迁峰.随着掺杂层数的增多,跃迁峰发生红移,当掺杂两层In时跃迁峰峰值最大,同时吸收系数的吸收边随掺杂层数的增多而逐渐减小.与In掺杂ZnO超晶胞相比,ZnO超晶格在可见光范围内具有高透过率的特点.%According to the full-potential linearized augmented plane wave method, we calculate the optical properties of In-doped superlattices ZnO. The results reveal that the Fermi energy level enters into the conduction band after doping In. Dielectric function, absorption, refractive index, reflectivity are found to each have a new transition peak near the Fermi energy level. With the increase of the concentration, this transition peak shifts toward the low energy and the spectrum of the peak is the biggest for the two-layer doping case. The optical absorption edge decreases with the increase of doping concentration. Compared with In-doped ZnO supercell, ZnO superlattice has a high transmissivity in the visible light range.