【摘要】 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.更多还原

【Abstract】 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.更多还原