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首页> 外文期刊>Cogent Physics >Tailoring the electronic structure and optical properties of cadmium-doped zinc oxides nanosheet
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Tailoring the electronic structure and optical properties of cadmium-doped zinc oxides nanosheet

机译：定制掺杂镉的氧化锌纳米片的电子结构和光学性质

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Cd-doped ZnO nanosheet (ZnO NS) were investigated using a full-potential linearized augmented plane wave method within the generalized gradient approximation (GGA) to calculate the electronic structure and its optical response. The calculated band structures have shown that the Cd-doped ZnO NS is a direct band gap?semiconductor at Γ with 1.50?eV band gap. The contribution of each atom/orbital were commented in light of total and partial densities of states. We also derived the optical constants (mainly the dielectric constants ε _(1)(0) and ε _(2)(0)), the absorption coefficient I (ω ), refractive index n (ω ), extinction coefficient k (ω ), and energy-loss function L (ω ). The spectrum of absorption coefficient has revealed to increase rapidly for photon energies higher than 2.5?eV. The absorption spectrum was found to be limited in energy region due to different contributions electronic transitions that occurred within ZnO NS and effect of Cd doping. Reducing the band gap of ZnO NS to low values is suitable process for light-emitting devices and solar cells applications.
机译：在广义梯度近似（GGA）中使用全电位线性化增强平面波方法研究了Cd掺杂的ZnO纳米片（ZnO NS），以计算电子结构及其光学响应。计算出的能带结构表明，Cd掺杂的ZnO NS是在Γ处具有1.50？eV带隙的直接带隙半导体。根据状态的全部和部分密度，对每个原子/轨道的贡献进行了评论。我们还导出了光学常数（主要是介电常数ε_（1）（0）和ε_（2）（0）），吸收系数 I（ω），折射率n（n），消光系数k（iω）和能量损失函数i（L i）。对于高于2.5？eV的光子能量，吸收系数谱已显示出迅速增加的趋势。由于在ZnO NS内发生的电子跃迁的不同贡献和Cd掺杂的影响，发现吸收光谱在能量区域受到限制。将ZnO NS的带隙降低到低值是适合发光器件和太阳能电池应用的过程。

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