In present research work, the theoretical study of structural, optical and electronic structures of the Rutiles $S{n}_{1-x}T{i}_x{O}_2(x=0.25,0.5,0.75)$ in monoclinic phase has been performed. The structural study reveals the phase change from tetragonal to base centered monoclinic at 25% and 75% of Ti-concentration in $Sn{O}_2$. While at 50% concentration of Ti in $Sn{O}_2$, the material has primitive monoclinic crystal structure. The optical constants like absorption coefficient $\left(\alpha \right)$, reflectivity (R), dielectric constant $\left(ϵ\right)$, conductivity $\left(\sigma \right)$, refractive index (n), extinction coefficient $\left(\kappa \right)$ and energy-loss function (L) have been studied comprehensively. It is found that the absorption edge for the material decreases by increasing Ti-concentration in $Sn{O}_2$. The band gap of materials increases with the increase of Ti-concentrations in $Sn{O}_2$.

在目前的研究工作中，金红石的结构、光学和电子结构的理论研究 $秒n_{1-X}吨{\mathrm{一世}}_X{哦}_2(X=0.25,0.5,0.75)$在单斜相中进行了。结构研究揭示了在 25% 和 75% 的 Ti 浓度下，从四方到碱中心单斜的相变。$秒n{哦}_2$. 而在 50% 的 Ti 浓度下$秒n{哦}_2$，该材料具有原始单斜晶体结构。吸收系数等光学常数$\left(\alpha \right)$，反射率（R），介电常数 $\left(\epsilon \right)$, 电导率 $\left(\sigma \right)$，折射率（n），消光系数 $\left(\kappa \right)$和能量损失函数 (L) 进行了全面的研究。发现材料的吸收边随着 Ti 浓度的增加而降低$秒n{哦}_2$. 材料的带隙随着 Ti 浓度的增加而增加$秒n{哦}_2$.