用激光脉冲沉积(PLD)方法, 以MgAl2O4(001)为衬底制备了过渡金属氧化物LiTi2O4薄膜.采用X射线衍射(XRD)对所制备材料进行结构测试, 结果表明, 材料具有立方尖晶石单相结构, 结晶性能良好.应用拉曼光谱和光谱椭偏仪(SE)分别研究了材料在常温下的拉曼活性声子特性和可见-近红外波段的折射率和消光系数.应用第一性原理计算了LiTi2O4材料的能带结构和态密度, 结果表明理论计算结果和实验测试结果具有很好的一致性, 能带计算结果能够很好的解释薄膜的光学常数.

Transition-metal oxides LiTi2O4 thin film was epitaxially grown on MgAl2O4 (001) substrate by pulsed-laser deposition. The X-ray diffraction indicates that the film was successfully grown with high quality and single cubic spinel phase. The Raman-active phonons were studied by Raman spectroscopy. Using spectroscopic ellipsometry, we also determined the refractive index and extinction coefficient of the film in visible-near-infrared region. Band structure and density of states (DOS) of LiTi2O4 were carried out by first-principles calculations. The theoretical calculations are consistent with the experimental results, and the optical constants is well identified by the theoretical band structure.